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130451-86-4 | 2-Propenoic acid, 3-(2-methylphenyl)-, methyl ester, (2E)-
CAS No: 130451-86-4 Catalog No: AG000UGH MDL No:MFCD22124823
Product Description
Catalog Number:
AG000UGH
Chemical Name:
2-Propenoic acid, 3-(2-methylphenyl)-, methyl ester, (2E)-
CAS Number:
130451-86-4
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD22124823
IUPAC Name:
methyl 3-(2-methylphenyl)prop-2-enoate
InChI:
InChI=1S/C11H12O2/c1-9-5-3-4-6-10(9)7-8-11(12)13-2/h3-8H,1-2H3
InChI Key:
FVSMIMXZNUZTOE-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1ccccc1C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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