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19893-66-4 | 4-Penten-1-ol, 4-nitro-5-(3-nitrophenyl)-, 1-acetate
CAS No: 19893-66-4 Catalog No: AG002BTM MDL No:
Product Description
Catalog Number:
AG002BTM
Chemical Name:
4-Penten-1-ol, 4-nitro-5-(3-nitrophenyl)-, 1-acetate
CAS Number:
19893-66-4
Molecular Formula:
C13H14N2O6
Molecular Weight:
294.2601
IUPAC Name:
[4-nitro-5-(3-nitrophenyl)pent-4-enyl] acetate
InChI:
InChI=1S/C13H14N2O6/c1-10(16)21-7-3-6-13(15(19)20)9-11-4-2-5-12(8-11)14(17)18/h2,4-5,8-9H,3,6-7H2,1H3
InChI Key:
OTYOGINKULYATJ-UHFFFAOYSA-N
SMILES:
CC(=O)OCCCC(=Cc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.263g/mol
Monoisotopic Mass:
294.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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