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579-75-9 | O-Anisic Acid
CAS No: 579-75-9 Catalog No: AG0035FB MDL No:MFCD00002431
Product Description
Catalog Number:
AG0035FB
Chemical Name:
O-Anisic Acid
CAS Number:
579-75-9
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD00002431
IUPAC Name:
2-methoxybenzoic acid
InChI:
InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key:
ILUJQPXNXACGAN-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)O
EC Number:
209-447-8
UNII:
49WA6Z7GZA
NSC Number:
3778
FEMA Number:
3943
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
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