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941-87-7 | 2-hydroxyquinoline-1(2h)-carbonitrile
CAS No: 941-87-7 Catalog No: AG006PAC MDL No:
Product Description
Catalog Number:
AG006PAC
Chemical Name:
2-hydroxyquinoline-1(2h)-carbonitrile
CAS Number:
941-87-7
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
IUPAC Name:
2-hydroxy-2H-quinoline-1-carbonitrile
InChI:
InChI=1S/C10H8N2O/c11-7-12-9-4-2-1-3-8(9)5-6-10(12)13/h1-6,10,13H
InChI Key:
GXIXLQJBGXQENY-UHFFFAOYSA-N
SMILES:
N#CN1C(O)C=Cc2c1cccc2
NSC Number:
74479
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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