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27892-88-2 | 2-Propenenitrile, 3-(4-nitrophenyl)-
CAS No: 27892-88-2 Catalog No: AG00I58R MDL No:
Product Description
Catalog Number:
AG00I58R
Chemical Name:
2-Propenenitrile, 3-(4-nitrophenyl)-
CAS Number:
27892-88-2
IUPAC Name:
(E)-3-(4-nitrophenyl)prop-2-enenitrile
InChI:
InChI=1S/C9H6N2O2/c10-7-1-2-8-3-5-9(6-4-8)11(12)13/h1-6H/b2-1+
InChI Key:
HLFGEWUHBJJYKR-OWOJBTEDSA-N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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