CAS 10191-25-0 | Pentanoic acid, 3-oxo- | CAS Number 10191-25-0

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10191-25-0 | Pentanoic acid, 3-oxo-

CAS No: 10191-25-0 Catalog No: AG0005XF MDL No:MFCD11040434

Product Description

Catalog Number:

AG0005XF

Chemical Name:

Pentanoic acid, 3-oxo-

CAS Number:

10191-25-0

Molecular Formula:

C5H8O3

Molecular Weight:

116.1152

MDL Number:

MFCD11040434

IUPAC Name:

3-oxopentanoic acid

InChI:

InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2-3H2,1H3,(H,7,8)

InChI Key:

FHSUFDYFOHSYHI-UHFFFAOYSA-N

SMILES:

CCC(=O)CC(=O)O

UNII:

090PW368EP

Properties

Complexity:

106

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

116.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

116.116g/mol

Monoisotopic Mass:

116.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Enzymatic functions of wild tomato methylketone synthases 1 and 2.	Plant physiology 20100901
Interrelations between C4 ketogenesis, C5 ketogenesis, and anaplerosis in the perfused rat liver.	The Journal of biological chemistry 20091009
Lowest transition state for the chirality-determining step in Ru((R)-BINAP)-catalyzed asymmetric hydrogenation of methyl-3-oxobutanoate.	Journal of the American Chemical Society 20081224
(Z)-Methyl 3-(4-ethoxy-anilino)but-2-enoate.	Acta crystallographica. Section E, Structure reports online 20080601
Volatile ketone formation in bacteria: release of 3-oxopentanoate by soil pseudomonads during growth on heptanoate.	Current microbiology 20010401