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100756-77-2 | 1,2-Benzenedicarbonitrile, 3,6-dihydroxy-4-methyl-
CAS No: 100756-77-2 Catalog No: AG0002TZ MDL No:
Product Description
Catalog Number:
AG0002TZ
Chemical Name:
1,2-Benzenedicarbonitrile, 3,6-dihydroxy-4-methyl-
CAS Number:
100756-77-2
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
IUPAC Name:
3,6-dihydroxy-4-methylbenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C9H6N2O2/c1-5-2-8(12)6(3-10)7(4-11)9(5)13/h2,12-13H,1H3
InChI Key:
OFPCKWNMAHPPFV-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)cc(c(c1C#N)O)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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