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Home > Nitro Compounds > 198065-04-2
198065-04-2 | Benzenehexanoic acid, ε-hydroxy-2-nitro-
CAS No: 198065-04-2 Catalog No: AG002B9H MDL No:
Product Description
Catalog Number:
AG002B9H
Chemical Name:
Benzenehexanoic acid, ε-hydroxy-2-nitro-
CAS Number:
198065-04-2
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
IUPAC Name:
6-hydroxy-6-(2-nitrophenyl)hexanoic acid
InChI:
InChI=1S/C12H15NO5/c14-11(7-3-4-8-12(15)16)9-5-1-2-6-10(9)13(17)18/h1-2,5-6,11,14H,3-4,7-8H2,(H,15,16)
InChI Key:
UIBFWSIJGPROML-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(c1ccccc1[N+](=O)[O-])O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.254g/mol
Monoisotopic Mass:
253.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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