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Home > Nitro Compounds > 69817-88-5
69817-88-5 | 3-Butenoic acid, 2,4-dinitrophenyl ester
CAS No: 69817-88-5 Catalog No: AG005HNX MDL No:
Product Description
Catalog Number:
AG005HNX
Chemical Name:
3-Butenoic acid, 2,4-dinitrophenyl ester
CAS Number:
69817-88-5
Molecular Formula:
C10H8N2O6
Molecular Weight:
252.1803
IUPAC Name:
(2,4-dinitrophenyl) but-3-enoate
InChI:
InChI=1S/C10H8N2O6/c1-2-3-10(13)18-9-5-4-7(11(14)15)6-8(9)12(16)17/h2,4-6H,1,3H2
InChI Key:
NXBXXEWDDRBDSJ-UHFFFAOYSA-N
SMILES:
C=CCC(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.182g/mol
Monoisotopic Mass:
252.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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