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C54 : Summary

Code

C54

One-letter code

X

Molecule name

(1R)-cyclopent-2-ene-1-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R)-cyclopent-2-ene-1-carboxylic acid
OpenEye OEToolkits 1.9.2 (1R)-cyclopent-2-ene-1-carboxylic acid

Formula

C6 H8 O2

Formal charge

0

Molecular weight

112.127 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1C=CCC1
SMILES CACTVS 3.385 OC(=O)[CH]1CCC=C1
SMILES OpenEye OEToolkits 1.9.2 C1CC(C=C1)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)[C@@H]1CCC=C1
Canonical SMILES OpenEye OEToolkits 1.9.2 C1C[C@H](C=C1)C(=O)O

IUPAC InChI

InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)/t5-/m0/s1

IUPAC InChI key

MOMBAXHNIPLMSI-YFKPBYRVSA-N
C54

wwPDB Information

Atom count

16 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-03-15

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned