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7333-86-0 | Benzoic acid,4-[(octadecylamino)carbonyl]-, methyl ester
CAS No: 7333-86-0 Catalog No: AG005EN8 MDL No:
Product Description
Catalog Number:
AG005EN8
Chemical Name:
Benzoic acid,4-[(octadecylamino)carbonyl]-, methyl ester
CAS Number:
7333-86-0
Molecular Formula:
C27H45NO3
Molecular Weight:
431.6511
IUPAC Name:
methyl 4-(octadecylcarbamoyl)benzoate
InChI:
InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-26(29)24-19-21-25(22-20-24)27(30)31-2/h19-22H,3-18,23H2,1-2H3,(H,28,29)
InChI Key:
FGGAQLDNXCMZJL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)OC
EC Number:
230-836-3
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.34g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.661g/mol
Monoisotopic Mass:
431.34g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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