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3168-59-0 | 5-Methoxy-2-methylbenzoic acid
CAS No: 3168-59-0 Catalog No: AG003MU0 MDL No:MFCD01846081
Product Description
Catalog Number:
AG003MU0
Chemical Name:
5-Methoxy-2-methylbenzoic acid
CAS Number:
3168-59-0
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD01846081
IUPAC Name:
5-methoxy-2-methylbenzoic acid
InChI:
InChI=1S/C9H10O3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:
OJDIEULKBFEZGD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)O)C
NSC Number:
97602
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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