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102362-00-5 | 4-Cyano-3-methoxybenzoic acid
CAS No: 102362-00-5 Catalog No: AG0007A2 MDL No:MFCD18203531
Product Description
Catalog Number:
AG0007A2
Chemical Name:
4-Cyano-3-methoxybenzoic acid
CAS Number:
102362-00-5
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD18203531
IUPAC Name:
4-cyano-3-methoxybenzoic acid
InChI:
InChI=1S/C9H7NO3/c1-13-8-4-6(9(11)12)2-3-7(8)5-10/h2-4H,1H3,(H,11,12)
InChI Key:
MBHJRZMASFIJBE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C#N)C(=O)O
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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