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1786-26-1 | 1,4-Benzenediol, compd. with acetonitrile (1:?)
CAS No: 1786-26-1 Catalog No: AG00266G MDL No:
Product Description
Catalog Number:
AG00266G
Chemical Name:
1,4-Benzenediol, compd. with acetonitrile (1:?)
CAS Number:
1786-26-1
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
acetonitrile;benzene-1,4-diol
InChI:
InChI=1S/C6H6O2.C2H3N/c7-5-1-2-6(8)4-3-5;1-2-3/h1-4,7-8H;1H3
InChI Key:
LYVMKBGZEHSJPD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)O.CC#N
Properties
Complexity:
84.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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