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81860-68-6 | Oxiranecarbonitrile, 3-(4-methoxyphenyl)-
CAS No: 81860-68-6 Catalog No: AG005H59 MDL No:
Product Description
Catalog Number:
AG005H59
Chemical Name:
Oxiranecarbonitrile, 3-(4-methoxyphenyl)-
CAS Number:
81860-68-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
3-(4-methoxyphenyl)oxirane-2-carbonitrile
InChI:
InChI=1S/C10H9NO2/c1-12-8-4-2-7(3-5-8)10-9(6-11)13-10/h2-5,9-10H,1H3
InChI Key:
YMWNQVFFUMJTJP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1OC1C#N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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