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Home > Nitro Compounds > 88055-18-9
88055-18-9 | Pentanoic acid, 4-methyl-2-(nitrooxy)-
CAS No: 88055-18-9 Catalog No: AG004FGP MDL No:
Product Description
Catalog Number:
AG004FGP
Chemical Name:
Pentanoic acid, 4-methyl-2-(nitrooxy)-
CAS Number:
88055-18-9
Molecular Formula:
C6H11NO5
Molecular Weight:
177.1552
IUPAC Name:
4-methyl-2-nitrooxypentanoic acid
InChI:
InChI=1S/C6H11NO5/c1-4(2)3-5(6(8)9)12-7(10)11/h4-5H,3H2,1-2H3,(H,8,9)
InChI Key:
WAJBYMTVZTXOKY-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)O[N+](=O)[O-])C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.156g/mol
Monoisotopic Mass:
177.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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