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Home > Nitro Compounds > 104291-52-3
104291-52-3 | 2-Propenoic acid, 3-(4-cyano-2-nitrophenyl)-, ethyl ester
CAS No: 104291-52-3 Catalog No: AG01DU4B MDL No:
Product Description
Catalog Number:
AG01DU4B
Chemical Name:
2-Propenoic acid, 3-(4-cyano-2-nitrophenyl)-, ethyl ester
CAS Number:
104291-52-3
IUPAC Name:
ethyl (E)-3-(4-cyano-2-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C12H10N2O4/c1-2-18-12(15)6-5-10-4-3-9(8-13)7-11(10)14(16)17/h3-7H,2H2,1H3/b6-5+
InChI Key:
WMFKQJPKYJSLNX-AATRIKPKSA-N
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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