Home Carboxys 3-Cyclopentene-1-carboxylic acid, 1-cyano-, ethyl ester

3-Cyclopentene-1-carboxylic acid, 1-cyano-, ethyl ester

CAS No.:
68882-32-6
Catalog Number:
AG00IBVN
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
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Product Description
Catalog Number:
AG00IBVN
Chemical Name:
3-Cyclopentene-1-carboxylic acid, 1-cyano-, ethyl ester
CAS Number:
68882-32-6
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD21950308
IUPAC Name:
ethyl 1-cyanocyclopent-3-ene-1-carboxylate
InChI:
InChI=1S/C9H11NO2/c1-2-12-8(11)9(7-10)5-3-4-6-9/h3-4H,2,5-6H2,1H3
InChI Key:
RDIIJCALQSVZDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC=CC1)C#N
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties