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1015-84-5 | 2-Naphthalenecarbonitrile, 1,4-dihydro-3-hydroxy-1,4-dioxo-
CAS No: 1015-84-5 Catalog No: AG0004MS MDL No:
Product Description
Catalog Number:
AG0004MS
Chemical Name:
2-Naphthalenecarbonitrile, 1,4-dihydro-3-hydroxy-1,4-dioxo-
CAS Number:
1015-84-5
Molecular Formula:
C11H5NO3
Molecular Weight:
199.1623
IUPAC Name:
1-hydroxy-3,4-dioxonaphthalene-2-carbonitrile
InChI:
InChI=1S/C11H5NO3/c12-5-8-9(13)6-3-1-2-4-7(6)10(14)11(8)15/h1-4,13H
InChI Key:
QDCZHDZFARQPHJ-UHFFFAOYSA-N
SMILES:
N#CC1=C(O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.165g/mol
Monoisotopic Mass:
199.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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