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102000-59-9 | Benzoic acid, 2,6-diamino-
CAS No: 102000-59-9 Catalog No: AG00069R MDL No:MFCD01661065
Product Description
Catalog Number:
AG00069R
Chemical Name:
Benzoic acid, 2,6-diamino-
CAS Number:
102000-59-9
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD01661065
IUPAC Name:
2,6-diaminobenzoic acid
InChI:
InChI=1S/C7H8N2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,8-9H2,(H,10,11)
InChI Key:
CIEFZSDJGQKZNS-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)cccc1N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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