7-Hydroxyheptanoic acid

CAT: 0127-OR89866-03Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR89866-03Size:25 g

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CAS Number

3710-42-7

MDL Number

MFCD03095417

Purity

95%

Smiles

OCCCCCCC(O)=O

Chemical Information

7-Hydroxyheptanoic acid

7-hydroxyheptanoic acid is an -hydroxy fatty acid comprising heptanoic acid which is substituted by a hydroxy group at position 7. It is an omega-hydroxy-medium-chain fatty acid and a straight-chain fatty acid. It is functionally related to a heptanoic acid.

CAS Number	3710-42-7
PubChem CID	138016
IUPAC Name	7-hydroxyheptanoic acid
Molecular Formula	C7H14O3
Molecular Weight	146.18
XLogP	-0.5
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	90

SMILES

C(CCCO)CCC(=O)O

InChI

InChI=1S/C7H14O3/c8-6-4-2-1-3-5-7(9)10/h8H,1-6H2,(H,9,10)

InChIKey

PNAJBOZYCFSQDJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3710-42-7

CID: 138016

Formula: C7H14O3

MW: 146.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	146.18
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	146.094294304
Monoisotopic Mass	146.094294304
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	90.9
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

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Catalog	Name
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BUP19811	7-Aminodeacetoxycephalosporanic acid
OR91293-01	7-Oxooctanoic acid
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Catalog	Name
FH142286-01	7-Hydroxyheptanoic acid
sc-491342	7-Hydroxyheptanoic Acid Phenylmethyl Ester
sc-491361	7-Hydroxyheptanoic Acid Sodium Salt
RG-E140727-01	7-chloro-2-hydroxyheptanoic acid
SAA58729-01	3-Hydroxyheptanoic acid
AR-P30893-01	6-Hydroxyheptanoic Acid
AAA63669-01	2-Hydroxyheptanoic acid
H943075	rac-3-Hydroxyheptanoic Acid
LXA06693-01	3-Amino-2-hydroxyheptanoic acid
464293-01	Rac-3-Hydroxyheptanoic Acid-D7

7-Hydroxyheptanoic acid

Chemical Information

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