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Home > Nitro Compounds > 69817-89-6
69817-89-6 | 4-Pentenoic acid, 2,4-dinitrophenyl ester
CAS No: 69817-89-6 Catalog No: AG005HNW MDL No:
Product Description
Catalog Number:
AG005HNW
Chemical Name:
4-Pentenoic acid, 2,4-dinitrophenyl ester
CAS Number:
69817-89-6
Molecular Formula:
C11H10N2O6
Molecular Weight:
266.2069
IUPAC Name:
(2,4-dinitrophenyl) pent-4-enoate
InChI:
InChI=1S/C11H10N2O6/c1-2-3-4-11(14)19-10-6-5-8(12(15)16)7-9(10)13(17)18/h2,5-7H,1,3-4H2
InChI Key:
CGWZIXQZQHTWLT-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.209g/mol
Monoisotopic Mass:
266.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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