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123039-72-5 | Benzoic acid, 4-amino-3,5-dimethoxy-
CAS No: 123039-72-5 Catalog No: AG000JZS MDL No:MFCD03425882
Product Description
Catalog Number:
AG000JZS
Chemical Name:
Benzoic acid, 4-amino-3,5-dimethoxy-
CAS Number:
123039-72-5
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD03425882
IUPAC Name:
4-amino-3,5-dimethoxybenzoic acid
InChI:
InChI=1S/C9H11NO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:
LVDQOCGPVJLBKQ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1N)OC)C(=O)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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