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100861-38-9 | Benzeneacetic acid, 3-methoxy-4-methyl-
CAS No: 100861-38-9 Catalog No: AG000324 MDL No:MFCD06208114
Product Description
Catalog Number:
AG000324
Chemical Name:
Benzeneacetic acid, 3-methoxy-4-methyl-
CAS Number:
100861-38-9
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD06208114
IUPAC Name:
2-(3-methoxy-4-methylphenyl)acetic acid
InChI:
InChI=1S/C10H12O3/c1-7-3-4-8(6-10(11)12)5-9(7)13-2/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:
XCHVZBMNFXWCTR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C)CC(=O)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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