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823177-79-3 | 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-1-(4-methylbenzoyl)-
CAS No: 823177-79-3 Catalog No: AG004ZKE MDL No:
Product Description
Catalog Number:
AG004ZKE
Chemical Name:
1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-1-(4-methylbenzoyl)-
CAS Number:
823177-79-3
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
IUPAC Name:
2-[5-hydroxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic acid
InChI:
InChI=1S/C19H17NO4/c1-11-3-5-13(6-4-11)19(24)20-12(2)15(10-18(22)23)16-9-14(21)7-8-17(16)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChI Key:
DWULBSZEBYBAHZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c2cc(O)ccc2n(c1C)C(=O)c1ccc(cc1)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.348g/mol
Monoisotopic Mass:
323.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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