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5762-35-6 | ALPHA-ACETOXYPHENYLACETONITRILE
CAS No: 5762-35-6 Catalog No: AG003NRS MDL No:MFCD22205885
Product Description
Catalog Number:
AG003NRS
Chemical Name:
ALPHA-ACETOXYPHENYLACETONITRILE
CAS Number:
5762-35-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD22205885
IUPAC Name:
[cyano(phenyl)methyl] acetate
InChI:
InChI=1S/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3
InChI Key:
MUXDFYRMYMEGCM-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)OC(=O)C
NSC Number:
75733
Properties
Complexity:
222
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:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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