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20320-42-7 | Benzoic acid, 2-[(dioctylamino)carbonyl]-
CAS No: 20320-42-7 Catalog No: AG0028QP MDL No:
Product Description
Catalog Number:
AG0028QP
Chemical Name:
Benzoic acid, 2-[(dioctylamino)carbonyl]-
CAS Number:
20320-42-7
Molecular Formula:
C24H39NO3
Molecular Weight:
389.5714
IUPAC Name:
2-(dioctylcarbamoyl)benzoic acid
InChI:
InChI=1S/C24H39NO3/c1-3-5-7-9-11-15-19-25(20-16-12-10-8-6-4-2)23(26)21-17-13-14-18-22(21)24(27)28/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3,(H,27,28)
InChI Key:
HLVKLTJVCQDRLR-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(C(=O)c1ccccc1C(=O)O)CCCCCCCC
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.293g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.58g/mol
Monoisotopic Mass:
389.293g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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