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141642-16-2 | Benzoic acid, 2-[4-(dibutylamino)-2-methoxybenzoyl]-
CAS No: 141642-16-2 Catalog No: AG001GRX MDL No:
Product Description
Catalog Number:
AG001GRX
Chemical Name:
Benzoic acid, 2-[4-(dibutylamino)-2-methoxybenzoyl]-
CAS Number:
141642-16-2
Molecular Formula:
C23H29NO4
Molecular Weight:
383.4807
IUPAC Name:
2-[4-(dibutylamino)-2-methoxybenzoyl]benzoic acid
InChI:
InChI=1S/C23H29NO4/c1-4-6-14-24(15-7-5-2)17-12-13-20(21(16-17)28-3)22(25)18-10-8-9-11-19(18)23(26)27/h8-13,16H,4-7,14-15H2,1-3H3,(H,26,27)
InChI Key:
PLCPUHCVICWYGL-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(c(c1)OC)C(=O)c1ccccc1C(=O)O)CCCC
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.488g/mol
Monoisotopic Mass:
383.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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