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179694-33-8 | Benzonitrile, 4-(2S)-2-oxiranyl-
CAS No: 179694-33-8 Catalog No: AG00277O MDL No:
Product Description
Catalog Number:
AG00277O
Chemical Name:
Benzonitrile, 4-(2S)-2-oxiranyl-
CAS Number:
179694-33-8
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
IUPAC Name:
4-[(2S)-oxiran-2-yl]benzonitrile
InChI:
InChI=1S/C9H7NO/c10-5-7-1-3-8(4-2-7)9-6-11-9/h1-4,9H,6H2/t9-/m1/s1
InChI Key:
WLNIRLBZLAAEAQ-SECBINFHSA-N
SMILES:
N#Cc1ccc(cc1)[C@@H]1OC1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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