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13067-00-0 | Phenol, 3,5-diamino-4-methyl-
CAS No: 13067-00-0 Catalog No: AG000USD MDL No:
Product Description
Catalog Number:
AG000USD
Chemical Name:
Phenol, 3,5-diamino-4-methyl-
CAS Number:
13067-00-0
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
IUPAC Name:
3,5-diamino-4-methylphenol
InChI:
InChI=1S/C7H10N2O/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,8-9H2,1H3
InChI Key:
PXBNRIMVQWOIRE-UHFFFAOYSA-N
SMILES:
Oc1cc(N)c(c(c1)N)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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