3-Cyclobutylpentanoic acid

CAT: 0926-XKC52716-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XKC52716-01Size:50 mg

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CAS Number

1522527-16-7

MDL Number

MFCD31665419

Smiles

CCC (CC (=O) O) C1CCC1

Molecular Formula

C9H16O2

Molecular Weight

156.22 g/mol

Controlled

Chemical Information

3-Cyclobutylpentanoic acid

CAS Number	1522527-16-7
PubChem CID	82595861
IUPAC Name	3-cyclobutylpentanoic acid
Molecular Formula	C9H16O2
Molecular Weight	156.22
XLogP	2.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

CCC(CC(=O)O)C1CCC1

InChI

InChI=1S/C9H16O2/c1-2-7(6-9(10)11)8-4-3-5-8/h7-8H,2-6H2,1H3,(H,10,11)

InChIKey

RQFVEAQCFLMFFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1522527-16-7

CID: 82595861

Formula: C9H16O2

MW: 156.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.22
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	156.115029749
Monoisotopic Mass	156.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FAA96183-01	3,3-oxydipropanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
DAA17774-01	3,3-Dimethylpentanoic acid
RLC35226-01	3,3-Dicyclobutylpropanoic acid
FD79195-01	3,3-Difluoropentanedioic Acid
FD33667-01	3,3-Diphenylpropionic acid
IWC69923-01	3,3-Difluoropentanoic acid
FD33699-01	3,3-Dimethylglutaric acid
ZIB66920-01	3,3-Difluorocyclohexanecarboxylic Acid
ZFA68086-01	3,3-Dicyclopropylpropanoic acid

Catalog	Name
MBS9023323-01	Fmoc-(S)-2-amino-5-cyclobutylpentanoic acid
CSB-DT2831	Fmoc- (S) -2-amino-5- cyclobutylpentanoic acid
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
C7173-500	3,3-Dimethylglutaric acid
HY-W016614	3,3'-Thiodipropanoic acid
TRC-D445368-10MG	3,3-Difluorocyclopentanecarboxylic Acid
TRC-D491725-25G	3,3-Diphenylpropionic Acid
sc-209691	3,3'-Dithiobisbenzoic Acid
sc-347292	3,3-dicyclopropylpropanoic acid
TRC-D263058-250MG	3,3'-Diselenobispropionic Acid