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28596-55-6 | Benzenepropanoic acid, 3-methoxy-2-methyl-
CAS No: 28596-55-6 Catalog No: AG002VSG MDL No:
Product Description
Catalog Number:
AG002VSG
Chemical Name:
Benzenepropanoic acid, 3-methoxy-2-methyl-
CAS Number:
28596-55-6
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
3-(3-methoxy-2-methylphenyl)propanoic acid
InChI:
InChI=1S/C11H14O3/c1-8-9(6-7-11(12)13)4-3-5-10(8)14-2/h3-5H,6-7H2,1-2H3,(H,12,13)
InChI Key:
AJXCCRMMGKODIS-UHFFFAOYSA-N
SMILES:
Cc1c(CCC(=O)O)cccc1OC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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