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Home > Nitro Compounds > 89023-09-6
89023-09-6 | 2-Propenoic acid, 3-[4-(dodecyloxy)phenyl]-, 4-nitrophenyl ester, (E)-
CAS No: 89023-09-6 Catalog No: AG0042RX MDL No:
Product Description
Catalog Number:
AG0042RX
Chemical Name:
2-Propenoic acid, 3-[4-(dodecyloxy)phenyl]-, 4-nitrophenyl ester, (E)-
CAS Number:
89023-09-6
Molecular Formula:
C27H35NO5
Molecular Weight:
453.5705
IUPAC Name:
(4-nitrophenyl) 3-(4-dodecoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C27H35NO5/c1-2-3-4-5-6-7-8-9-10-11-22-32-25-17-12-23(13-18-25)14-21-27(29)33-26-19-15-24(16-20-26)28(30)31/h12-21H,2-11,22H2,1H3
InChI Key:
FEEZMJISVCHKGH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.252g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.579g/mol
Monoisotopic Mass:
453.252g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
9.1
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