Monomers

Methyl 2-benzylacrylate

Identifiers

IUPAC name
methyl 2-benzylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
DQQJYBYIABSMFM-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)Cc1ccccc1
Canonical SMILES
COC(=O)C(=C)CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)CC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
1.9583
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
    4.5055    0.3112    0.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1040    0.3216    0.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4541   -0.5241   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786   -1.3176   -0.7800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0103   -0.4648   -0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -1.2617   -1.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953    0.4868    0.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2330    0.3647    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7765    1.1316   -0.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1020    1.0314   -1.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9328    0.1796   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3840   -0.5805    0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0482   -0.5015    0.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7592    0.2006    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9808   -0.4681    0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9613    1.2944    0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928   -1.9551   -1.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6601   -1.2408   -1.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098    0.2904    1.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5985    1.5060    0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1174    1.8155   -1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5321    1.6368   -1.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9872    0.1158   -0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0464   -1.2541    1.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288   -1.1181    1.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers