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538372-37-1 | Methyl 3,4-diamino-2-methoxybenzoate
CAS No: 538372-37-1 Catalog No: AG003IRA MDL No:MFCD18970771
Product Description
Catalog Number:
AG003IRA
Chemical Name:
Methyl 3,4-diamino-2-methoxybenzoate
CAS Number:
538372-37-1
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD18970771
IUPAC Name:
methyl 3,4-diamino-2-methoxybenzoate
InChI:
InChI=1S/C9H12N2O3/c1-13-8-5(9(12)14-2)3-4-6(10)7(8)11/h3-4H,10-11H2,1-2H3
InChI Key:
RWEQERJJDQFUDV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1OC)N)N
Properties
Complexity:
210
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:
2
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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