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20320-40-5 | Benzoic acid, 2-[(dibutylamino)carbonyl]-
CAS No: 20320-40-5 Catalog No: AG0028QQ MDL No:
Product Description
Catalog Number:
AG0028QQ
Chemical Name:
Benzoic acid, 2-[(dibutylamino)carbonyl]-
CAS Number:
20320-40-5
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
IUPAC Name:
2-(dibutylcarbamoyl)benzoic acid
InChI:
InChI=1S/C16H23NO3/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16(19)20/h7-10H,3-6,11-12H2,1-2H3,(H,19,20)
InChI Key:
CCUXORLXCXIGTA-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)c1ccccc1C(=O)O)CCCC
NSC Number:
132593
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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