CAS 1560-11-8 | 1-Cyclopentene-1-carboxylic acid | CAS Number 1560-11-8

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1560-11-8 | 1-Cyclopentene-1-carboxylic acid

CAS No: 1560-11-8 Catalog No: AG001OET MDL No:MFCD00001396

Product Description

Catalog Number:

AG001OET

Chemical Name:

1-Cyclopentene-1-carboxylic acid

CAS Number:

1560-11-8

Molecular Formula:

C6H8O2

Molecular Weight:

112.1265

MDL Number:

MFCD00001396

IUPAC Name:

cyclopentene-1-carboxylic acid

InChI:

InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h3H,1-2,4H2,(H,7,8)

InChI Key:

PYRZPBDTPRQYKG-UHFFFAOYSA-N

SMILES:

OC(=O)C1=CCCC1

NSC Number:

44968

Properties

Complexity:

136

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

112.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

112.128g/mol

Monoisotopic Mass:

112.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Selective orthosteric free fatty acid receptor 2 (FFA2) agonists: identification of the structural and chemical requirements for selective activation of FFA2 versus FFA3.	The Journal of biological chemistry 20110325
Asymmetric construction of three contiguous stereogenic centers by conjugate addition-alkylation of lithium ester enolate.	Organic letters 20090507
Asymmetric construction of quaternary carbon centers by sequential conjugate addition of lithium amide and in situ alkylation: utility in the synthesis of (-)-aspidospermidine.	Organic letters 20090205