7-Oxoheptanoic acid

CAT: 0127-OR1069309-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1069309-01Size:50 mg

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CAS Number

35923-65-0

MDL Number

MFCD00047662

Purity

97%

Smiles

O=C(O)CCCCCC=O

Chemical Information

7-Oxoheptanoic acid

7-oxoheptanoic acid is a medium-chain fatty acid.

CAS Number	35923-65-0
PubChem CID	169732
IUPAC Name	7-oxoheptanoic acid
Molecular Formula	C7H12O3
Molecular Weight	144.17
XLogP	0.4
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	109

SMILES

C(CCC=O)CCC(=O)O

InChI

InChI=1S/C7H12O3/c8-6-4-2-1-3-5-7(9)10/h6H,1-5H2,(H,9,10)

InChIKey

OOFMTFUTWFAVGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35923-65-0

CID: 169732

Formula: C7H12O3

MW: 144.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.17
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	144.078644241
Monoisotopic Mass	144.078644241
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1072769-01	7-Chloro-2-oxoheptanoic acid
OR9440	7-Bromo-2-oxoheptanoic acid
OR1065435-01	2-Oxoheptanoic acid
OR5276-01	6-Oxoheptanoic acid
OR1049856-01	7- (7-Aminoheptanamido) heptanoic acid
OR6483-01	7-Bromoheptanoic acid
BUP19811	7-Aminodeacetoxycephalosporanic acid
OR91293-01	7-Oxooctanoic acid
OR55219-01	7-Octenoic acid
BUP16723	7-Aminocephalosporanic acid

Catalog	Name
KBA92365-01	7-Oxoheptanoic acid
HY-W001494-01	7-Methoxy-7-oxoheptanoic acid
HY-W639905	7-Oxoheptanoic acid methyl ester
WAA24411-01	7- (4-Methoxyphenyl) -7-oxoheptanoic acid
GTR19276869-01	7- (tert-Butoxy) -7-oxoheptanoic acid
sc-233640	6-Oxoheptanoic acid
SCA13596-01	3-Methyl-6-oxoheptanoic acid
BDA39095-01	6-Methyl-2-oxoheptanoic acid
ICA44740-01	4-Methyl-6-oxoheptanoic acid
TRC-A338290-1G	3-Acetyl-6-oxoheptanoic Acid