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175675-62-4 | 2-Propenoic acid, 3-(4-methoxy-3-methylphenyl)-, (2E)-
CAS No: 175675-62-4 Catalog No: AG002147 MDL No:MFCD03002824
Product Description
Catalog Number:
AG002147
Chemical Name:
2-Propenoic acid, 3-(4-methoxy-3-methylphenyl)-, (2E)-
CAS Number:
175675-62-4
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD03002824
IUPAC Name:
(E)-3-(4-methoxy-3-methylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H12O3/c1-8-7-9(4-6-11(12)13)3-5-10(8)14-2/h3-7H,1-2H3,(H,12,13)/b6-4+
InChI Key:
KBEPQVCZYNPZHN-GQCTYLIASA-N
SMILES:
COc1ccc(cc1C)/C=C/C(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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