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Home > Nitro Compounds > 70683-09-9
70683-09-9 | 4-Pentenoic acid, 2-nitro-, ethyl ester
CAS No: 70683-09-9 Catalog No: AG005GUK MDL No:
Product Description
Catalog Number:
AG005GUK
Chemical Name:
4-Pentenoic acid, 2-nitro-, ethyl ester
CAS Number:
70683-09-9
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
ethyl 2-nitropent-4-enoate
InChI:
InChI=1S/C7H11NO4/c1-3-5-6(8(10)11)7(9)12-4-2/h3,6H,1,4-5H2,2H3
InChI Key:
YHSMWMBSABINKZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(=O)OCC)CC=C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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