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132316-45-1 | 2-Propenoic acid, 3-(2-formylphenyl)-, methyl ester, (2E)-
CAS No: 132316-45-1 Catalog No: AG0010JC MDL No:
Product Description
Catalog Number:
AG0010JC
Chemical Name:
2-Propenoic acid, 3-(2-formylphenyl)-, methyl ester, (2E)-
CAS Number:
132316-45-1
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
methyl 3-(2-formylphenyl)prop-2-enoate
InChI:
InChI=1S/C11H10O3/c1-14-11(13)7-6-9-4-2-3-5-10(9)8-12/h2-8H,1H3
InChI Key:
FECOKXYSVFVXRX-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1ccccc1C=O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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