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88226-31-7 | Cyclopropanecarbonitrile, 2-(1-naphthalenyl)-, cis-
CAS No: 88226-31-7 Catalog No: AG004B7Z MDL No:
Product Description
Catalog Number:
AG004B7Z
Chemical Name:
Cyclopropanecarbonitrile, 2-(1-naphthalenyl)-, cis-
CAS Number:
88226-31-7
Molecular Formula:
C14H11N
Molecular Weight:
193.2438
IUPAC Name:
(1R,2S)-2-naphthalen-1-ylcyclopropane-1-carbonitrile
InChI:
InChI=1S/C14H11N/c15-9-11-8-14(11)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14H,8H2/t11-,14-/m0/s1
InChI Key:
CRVJETWKFPSKDA-FZMZJTMJSA-N
SMILES:
N#C[C@@H]1C[C@@H]1c1cccc2c1cccc2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
193.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.249g/mol
Monoisotopic Mass:
193.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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