Home Other Building Blocks 3-CYCLOPENTENE-1-CARBOXYLIC ACID,1-CYANO-,METHYL ESTER

3-CYCLOPENTENE-1-CARBOXYLIC ACID,1-CYANO-,METHYL ESTER

CAS No.:
88326-52-7
Catalog Number:
AG01DWS8
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DWS8
Chemical Name:
3-CYCLOPENTENE-1-CARBOXYLIC ACID,1-CYANO-,METHYL ESTER
CAS Number:
88326-52-7
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD18835424
IUPAC Name:
methyl 1-cyanocyclopent-3-ene-1-carboxylate
InChI:
InChI=1S/C8H9NO2/c1-11-7(10)8(6-9)4-2-3-5-8/h2-3H,4-5H2,1H3
InChI Key:
UWYXERHKKIHMGN-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC=CC1)C#N
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties