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182234-17-9 | 2-Propenoic acid, 3-(4-methoxy-3-methylphenyl)-
CAS No: 182234-17-9 Catalog No: AG0023IP MDL No:
Product Description
Catalog Number:
AG0023IP
Chemical Name:
2-Propenoic acid, 3-(4-methoxy-3-methylphenyl)-
CAS Number:
182234-17-9
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
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)
InChI Key:
KBEPQVCZYNPZHN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C)C=CC(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
2.2
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