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67697-51-2 | Benzoic acid, 2-[(5-methoxy-2-methyl-1H-indol-3-yl)carbonyl]-
CAS No: 67697-51-2 Catalog No: AG005QLQ MDL No:
Product Description
Catalog Number:
AG005QLQ
Chemical Name:
Benzoic acid, 2-[(5-methoxy-2-methyl-1H-indol-3-yl)carbonyl]-
CAS Number:
67697-51-2
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
2-(5-methoxy-2-methyl-1H-indole-3-carbonyl)benzoic acid
InChI:
InChI=1S/C18H15NO4/c1-10-16(14-9-11(23-2)7-8-15(14)19-10)17(20)12-5-3-4-6-13(12)18(21)22/h3-9,19H,1-2H3,(H,21,22)
InChI Key:
VRVWHTSBMPBFMX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c([nH]2)C)C(=O)c1ccccc1C(=O)O
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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