3-Cyclopropylpropanoic acid

CAT: 0926-FC142945-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FC142945-01Size:5 g

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CAS Number

5618-03-1

MDL Number

MFCD02179408

Smiles

C1CC1CCC (=O) O

Molecular Formula

C6H10O2

Molecular Weight

114.14 g/mol

Controlled

Chemical Information

3-Cyclopropylpropanoic acid

CAS Number	5618-03-1
PubChem CID	2758013
IUPAC Name	3-cyclopropylpropanoic acid
Molecular Formula	C6H10O2
Molecular Weight	114.14
XLogP	1.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	94

SMILES

C1CC1CCC(=O)O

InChI

InChI=1S/C6H10O2/c7-6(8)4-3-5-1-2-5/h5H,1-4H2,(H,7,8)

InChIKey

PPZZCMKWRAVJDS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5618-03-1

CID: 2758013

Formula: C6H10O2

MW: 114.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.14
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	114.068079557
Monoisotopic Mass	114.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	94.7
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
NDA80789-01	2-Amino-2-cyclopropylpropanoic acid HCl
CWB84551-01	2-{[ (tert-Butoxy) carbonyl]amino}-2-cyclopropylpropanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
DAA17774-01	3,3-Dimethylpentanoic acid
FD79195-01	3,3-Difluoropentanedioic Acid
FD33667-01	3,3-Diphenylpropionic acid
IWC69923-01	3,3-Difluoropentanoic acid
RLC35226-01	3,3-Dicyclobutylpropanoic acid
KAC89705	3,3-difluorocyclopentanecarboxylic acid
FD33699-01	3,3-Dimethylglutaric acid

Catalog	Name
OR313064	3-Cyclopropylpropanoic acid
423742-01	3-Amino-3-cyclopropylpropanoic acid
CSB-DT2442	3-Amino-3- cyclopropylpropanoic acid
OR1057290-01	2-Cyclopropylpropanoic acid
AK HP A087-01	3-amino-2-cyclopropylpropanoic acid
GTR19034738	(S) -2-Amino-3-cyclopropylpropanoic acid
MBS5810263	(S)-2-Amino-3-cyclopropylpropanoic acid
OR90781-01	3- ((tert-Butoxycarbonyl) amino) -3-cyclopropylpropanoic acid
MBS9022937-01	3-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acid
CSB-DT2445	3- ((tert- Butoxycarbonyl) amino) -3- cyclopropylpropanoic acid