200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 31002-52-5
31002-52-5 | 1,1-Cyclopropanedicarbonitrile, 2-phenyl-, (2S)-
CAS No: 31002-52-5 Catalog No: AG0031WF MDL No:
Product Description
Catalog Number:
AG0031WF
Chemical Name:
1,1-Cyclopropanedicarbonitrile, 2-phenyl-, (2S)-
CAS Number:
31002-52-5
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
(2S)-2-phenylcyclopropane-1,1-dicarbonitrile
InChI:
InChI=1S/C11H8N2/c12-7-11(8-13)6-10(11)9-4-2-1-3-5-9/h1-5,10H,6H2/t10-/m0/s1
InChI Key:
IQNPJJYURMAFTQ-JTQLQIEISA-N
SMILES:
N#CC1(C[C@H]1c1ccccc1)C#N
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.