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127733-92-0 | Benzoic acid, 2-(aminocarbonyl)-, N,N-bis(hydrogenated tallow alkyl) derivs.
CAS No: 127733-92-0 Catalog No: AG000XCQ MDL No:MFCD11041077
Product Description
Catalog Number:
AG000XCQ
Chemical Name:
Benzoic acid, 2-(aminocarbonyl)-, N,N-bis(hydrogenated tallow alkyl) derivs.
CAS Number:
127733-92-0
MDL Number:
MFCD11041077
IUPAC Name:
2-(dioctadecylcarbamoyl)benzoic acid
InChI:
InChI=1S/C44H79NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-45(43(46)41-37-33-34-38-42(41)44(47)48)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32,35-36,39-40H2,1-2H3,(H,47,48)
InChI Key:
QWZDGDRJLIDZKT-UHFFFAOYSA-N
UNII:
5552GSZ9LI
Properties
Complexity:
673
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
669.606g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
670.12g/mol
Monoisotopic Mass:
669.606g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.6
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