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2486-80-8 | Benzoic acid, 4-amino-2-methoxy-
CAS No: 2486-80-8 Catalog No: AG002PO9 MDL No:MFCD00114479
Product Description
Catalog Number:
AG002PO9
Chemical Name:
Benzoic acid, 4-amino-2-methoxy-
CAS Number:
2486-80-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00114479
IUPAC Name:
4-amino-2-methoxybenzoic acid
InChI:
InChI=1S/C8H9NO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
OLJXRTRRJSMURJ-UHFFFAOYSA-N
SMILES:
COc1cc(N)ccc1C(=O)O
EC Number:
219-632-5
NSC Number:
208766
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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