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116778-99-5 | 2-Naphthalenecarboxylic acid, 1-nitroso-
CAS No: 116778-99-5 Catalog No: AG000D73 MDL No:
Product Description
Catalog Number:
AG000D73
Chemical Name:
2-Naphthalenecarboxylic acid, 1-nitroso-
CAS Number:
116778-99-5
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
IUPAC Name:
1-nitrosonaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H7NO3/c13-11(14)9-6-5-7-3-1-2-4-8(7)10(9)12-15/h1-6H,(H,13,14)
InChI Key:
SRFGQFONCUHDTP-UHFFFAOYSA-N
SMILES:
O=Nc1c(ccc2c1cccc2)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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