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13066-96-1 | 1,3-Benzenediol, 2,4-diamino-
CAS No: 13066-96-1 Catalog No: AG000URH MDL No:
Product Description
Catalog Number:
AG000URH
Chemical Name:
1,3-Benzenediol, 2,4-diamino-
CAS Number:
13066-96-1
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
2,4-diaminobenzene-1,3-diol
InChI:
InChI=1S/C6H8N2O2/c7-3-1-2-4(9)5(8)6(3)10/h1-2,9-10H,7-8H2
InChI Key:
RWAOPZVGICHCOI-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1N)O)N
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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