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Home > Nitro Compounds > 132910-95-3
132910-95-3 | Triacontanoic acid, 30-hydroxy-, 4-nitrophenyl ester
CAS No: 132910-95-3 Catalog No: AG0011D9 MDL No:
Product Description
Catalog Number:
AG0011D9
Chemical Name:
Triacontanoic acid, 30-hydroxy-, 4-nitrophenyl ester
CAS Number:
132910-95-3
Molecular Formula:
C36H63NO5
Molecular Weight:
589.8891
IUPAC Name:
(4-nitrophenyl) 30-hydroxytriacontanoate
InChI:
InChI=1S/C36H63NO5/c38-33-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-36(39)42-35-31-29-34(30-32-35)37(40)41/h29-32,38H,1-28,33H2
InChI Key:
YYPGMFSNCYHZCO-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
589.471g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
589.902g/mol
Monoisotopic Mass:
589.471g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.8
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