200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 101245-15-2
101245-15-2 | Bicyclo[4.1.0]hept-2-ene-3-acetonitrile, 7,7-dimethyl-, (1R)- (9CI)
CAS No: 101245-15-2 Catalog No: AG00040T MDL No:
Product Description
Catalog Number:
AG00040T
Chemical Name:
Bicyclo[4.1.0]hept-2-ene-3-acetonitrile, 7,7-dimethyl-, (1R)- (9CI)
CAS Number:
101245-15-2
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
IUPAC Name:
2-(7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl)acetonitrile
InChI:
InChI=1S/C11H15N/c1-11(2)9-4-3-8(5-6-12)7-10(9)11/h7,9-10H,3-5H2,1-2H3
InChI Key:
YGLJEULVEOOBES-UHFFFAOYSA-N
SMILES:
N#CCC1=C[C@@H]2C(CC1)C2(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.248g/mol
Monoisotopic Mass:
161.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.