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149695-77-2 | Cyclohexanecarboxylic acid, 1-hydroxy-2-nitro-
CAS No: 149695-77-2 Catalog No: AG001LXN MDL No:
Product Description
Catalog Number:
AG001LXN
Chemical Name:
Cyclohexanecarboxylic acid, 1-hydroxy-2-nitro-
CAS Number:
149695-77-2
Molecular Formula:
C7H11NO5
Molecular Weight:
189.1659
IUPAC Name:
1-hydroxy-2-nitrocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H11NO5/c9-6(10)7(11)4-2-1-3-5(7)8(12)13/h5,11H,1-4H2,(H,9,10)
InChI Key:
KZSVBHKOYPDCCD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1CCCCC1(O)C(=O)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.167g/mol
Monoisotopic Mass:
189.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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