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197500-33-7 | Benzoic acid, 3-(dimethylamino)-4-methoxy-
CAS No: 197500-33-7 Catalog No: AG002AV7 MDL No:MFCD16659617
Product Description
Catalog Number:
AG002AV7
Chemical Name:
Benzoic acid, 3-(dimethylamino)-4-methoxy-
CAS Number:
197500-33-7
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD16659617
IUPAC Name:
3-(dimethylamino)-4-methoxybenzoic acid
InChI:
InChI=1S/C10H13NO3/c1-11(2)8-6-7(10(12)13)4-5-9(8)14-3/h4-6H,1-3H3,(H,12,13)
InChI Key:
JNUITXIBCUUIQA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N(C)C)C(=O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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