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141237-97-0 | Benzoic acid, 3-[[4-(decyloxy)benzoyl]amino]-4-methoxy-, methyl ester
CAS No: 141237-97-0 Catalog No: AG001G3X MDL No:
Product Description
Catalog Number:
AG001G3X
Chemical Name:
Benzoic acid, 3-[[4-(decyloxy)benzoyl]amino]-4-methoxy-, methyl ester
CAS Number:
141237-97-0
Molecular Formula:
C26H35NO5
Molecular Weight:
441.5598
IUPAC Name:
methyl 3-[(4-decoxybenzoyl)amino]-4-methoxybenzoate
InChI:
InChI=1S/C26H35NO5/c1-4-5-6-7-8-9-10-11-18-32-22-15-12-20(13-16-22)25(28)27-23-19-21(26(29)31-3)14-17-24(23)30-2/h12-17,19H,4-11,18H2,1-3H3,(H,27,28)
InChI Key:
SMTPHUXROKHHSL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)C(=O)Nc1cc(ccc1OC)C(=O)OC
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.252g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.568g/mol
Monoisotopic Mass:
441.252g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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