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303154-39-4 | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-cyanoethyl ester
CAS No: 303154-39-4 Catalog No: AG002ZOB MDL No:
Product Description
Catalog Number:
AG002ZOB
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-cyanoethyl ester
CAS Number:
303154-39-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
2-cyanoethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
InChI:
InChI=1S/C11H13NO2/c12-4-1-5-14-11(13)10-7-8-2-3-9(10)6-8/h2-3,8-10H,1,5-7H2
InChI Key:
PETIRHIUTHWIRS-UHFFFAOYSA-N
SMILES:
C(OC(=O)C1CC2CC1C=C2)CC#N
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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