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80198-99-8 | 3-(3-Nitro-phenyl)-propionitrile
CAS No: 80198-99-8 Catalog No: AG00G873 MDL No:MFCD14538780
Product Description
Catalog Number:
AG00G873
Chemical Name:
3-(3-Nitro-phenyl)-propionitrile
CAS Number:
80198-99-8
MDL Number:
MFCD14538780
IUPAC Name:
3-(3-nitrophenyl)propanenitrile
InChI:
InChI=1S/C9H8N2O2/c10-6-2-4-8-3-1-5-9(7-8)11(12)13/h1,3,5,7H,2,4H2
InChI Key:
VCCUQQJUZUPEII-UHFFFAOYSA-N
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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