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92180-30-8

92180-30-8 | Benzoic acid, 3,5-bis[(butylamino)carbonyl]-

CAS No: 92180-30-8 Catalog No: AG006GK2 MDL No:

Product Description

Catalog Number:
AG006GK2
Chemical Name:
Benzoic acid, 3,5-bis[(butylamino)carbonyl]-
CAS Number:
92180-30-8
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
IUPAC Name:
3,5-bis(butylcarbamoyl)benzoic acid
InChI:
InChI=1S/C17H24N2O4/c1-3-5-7-18-15(20)12-9-13(11-14(10-12)17(22)23)16(21)19-8-6-4-2/h9-11H,3-8H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChI Key:
MDXWGBYMALTKHS-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1cc(cc(c1)C(=O)NCCCC)C(=O)O

Properties

Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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