CAS 16488-43-0 | Butanoic acid, 4-nitro- | CAS Number 16488-43-0

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16488-43-0 | Butanoic acid, 4-nitro-

CAS No: 16488-43-0 Catalog No: AG001V3S MDL No:MFCD17013393

Product Description

Catalog Number:

AG001V3S

Chemical Name:

Butanoic acid, 4-nitro-

CAS Number:

16488-43-0

Molecular Formula:

C4H7NO4

Molecular Weight:

133.1027

MDL Number:

MFCD17013393

IUPAC Name:

4-nitrobutanoic acid

InChI:

InChI=1S/C4H7NO4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)

InChI Key:

SUFKNMKUIYHURJ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)CCCC(=O)O

Properties

Complexity:

116

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

133.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

133.103g/mol

Monoisotopic Mass:

133.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1

Literature

Title	Journal
Schisandrin B as a hormetic agent for preventing age-related neurodegenerative diseases.	Oxidative medicine and cellular longevity 20120101
The effect of a Glu370Asp mutation in glutaryl-CoA dehydrogenase on proton transfer to the dienolate intermediate.	Biochemistry 20071218
The McLafferty rearrangement: a personal recollection.	Journal of the American Society for Mass Spectrometry 20040701