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116646-28-7 | Benzoic acid, 3-(3-dodecyl-2,5-dioxo-1-pyrrolidinyl)-
CAS No: 116646-28-7 Catalog No: AG000CXW MDL No:
Product Description
Catalog Number:
AG000CXW
Chemical Name:
Benzoic acid, 3-(3-dodecyl-2,5-dioxo-1-pyrrolidinyl)-
CAS Number:
116646-28-7
Molecular Formula:
C23H33NO4
Molecular Weight:
387.5124
IUPAC Name:
3-(3-dodecyl-2,5-dioxopyrrolidin-1-yl)benzoic acid
InChI:
InChI=1S/C23H33NO4/c1-2-3-4-5-6-7-8-9-10-11-13-18-17-21(25)24(22(18)26)20-15-12-14-19(16-20)23(27)28/h12,14-16,18H,2-11,13,17H2,1H3,(H,27,28)
InChI Key:
KXBBWXMDVMHQFV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC1CC(=O)N(C1=O)c1cccc(c1)C(=O)O
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.241g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.52g/mol
Monoisotopic Mass:
387.241g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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