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Home > Nitro Compounds > 19019-33-1
19019-33-1 | 2-Butenoic acid, 4-(1-methylheptyl)-2,6-dinitrophenyl ester
CAS No: 19019-33-1 Catalog No: AG002EEC MDL No:
Product Description
Catalog Number:
AG002EEC
Chemical Name:
2-Butenoic acid, 4-(1-methylheptyl)-2,6-dinitrophenyl ester
CAS Number:
19019-33-1
Molecular Formula:
C18H24N2O6
Molecular Weight:
364.3930
IUPAC Name:
(2,6-dinitro-4-octan-2-ylphenyl) but-2-enoate
InChI:
InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)14-11-15(19(22)23)18(16(12-14)20(24)25)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3
InChI Key:
YHVJMJFNSRLYIC-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])OC(=O)C=CC)C
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.398g/mol
Monoisotopic Mass:
364.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6
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