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500690-02-8 | 3-methoxy-4-(methylamino)benzoic acid
CAS No: 500690-02-8 Catalog No: AG003AQE MDL No:MFCD20644675
Product Description
Catalog Number:
AG003AQE
Chemical Name:
3-methoxy-4-(methylamino)benzoic acid
CAS Number:
500690-02-8
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD20644675
IUPAC Name:
3-methoxy-4-(methylamino)benzoic acid
InChI:
InChI=1S/C9H11NO3/c1-10-7-4-3-6(9(11)12)5-8(7)13-2/h3-5,10H,1-2H3,(H,11,12)
InChI Key:
GQVAGDPAHFLKQI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NC)C(=O)O
NSC Number:
149507
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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