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1248541-73-2 | Benzoic acid, 2,3-diamino-5-methyl-, methyl ester
CAS No: 1248541-73-2 Catalog No: AG000MSR MDL No:MFCD20037624
Product Description
Catalog Number:
AG000MSR
Chemical Name:
Benzoic acid, 2,3-diamino-5-methyl-, methyl ester
CAS Number:
1248541-73-2
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD20037624
IUPAC Name:
methyl 2,3-diamino-5-methylbenzoate
InChI:
InChI=1S/C9H12N2O2/c1-5-3-6(9(12)13-2)8(11)7(10)4-5/h3-4H,10-11H2,1-2H3
InChI Key:
XXZGGZLZRYQXIB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)cc(c1N)N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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