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141753-66-4 | Benzenepropanoic acid, 5-(2-carboxybenzoyl)-2-(decyloxy)-
CAS No: 141753-66-4 Catalog No: AG001GZW MDL No:
Product Description
Catalog Number:
AG001GZW
Chemical Name:
Benzenepropanoic acid, 5-(2-carboxybenzoyl)-2-(decyloxy)-
CAS Number:
141753-66-4
Molecular Formula:
C27H34O6
Molecular Weight:
454.5553
IUPAC Name:
2-[3-(2-carboxyethyl)-4-decoxybenzoyl]benzoic acid
InChI:
InChI=1S/C27H34O6/c1-2-3-4-5-6-7-8-11-18-33-24-16-14-21(19-20(24)15-17-25(28)29)26(30)22-12-9-10-13-23(22)27(31)32/h9-10,12-14,16,19H,2-8,11,15,17-18H2,1H3,(H,28,29)(H,31,32)
InChI Key:
YYSGGGGRFAHYFV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1CCC(=O)O)C(=O)c1ccccc1C(=O)O
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.236g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
454.563g/mol
Monoisotopic Mass:
454.236g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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