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75144-20-6 | Benzoic acid,3,5-diamino-2-hydroxy-4-methyl-, methyl ester
CAS No: 75144-20-6 Catalog No: AG00565L MDL No:
Product Description
Catalog Number:
AG00565L
Chemical Name:
Benzoic acid,3,5-diamino-2-hydroxy-4-methyl-, methyl ester
CAS Number:
75144-20-6
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
IUPAC Name:
methyl 3,5-diamino-2-hydroxy-4-methylbenzoate
InChI:
InChI=1S/C9H12N2O3/c1-4-6(10)3-5(9(13)14-2)8(12)7(4)11/h3,12H,10-11H2,1-2H3
InChI Key:
IYXCSRRYDQIICX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)c(c(c1O)N)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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