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2475-80-1 | Benzoic acid, 2-amino-5-methoxy-, methyl ester
CAS No: 2475-80-1 Catalog No: AG002PBK MDL No:MFCD09038482
Product Description
Catalog Number:
AG002PBK
Chemical Name:
Benzoic acid, 2-amino-5-methoxy-, methyl ester
CAS Number:
2475-80-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD09038482
IUPAC Name:
methyl 2-amino-5-methoxybenzoate
InChI:
InChI=1S/C9H11NO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,10H2,1-2H3
InChI Key:
MOVBJUGHBJJKOW-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)OC)N
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:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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