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88933-56-6 | 1H-Indole-3-propanoic acid, 2-(5-methyl-3-phenyl-4-isoxazolyl)-
CAS No: 88933-56-6 Catalog No: AG0048EY MDL No:
Product Description
Catalog Number:
AG0048EY
Chemical Name:
1H-Indole-3-propanoic acid, 2-(5-methyl-3-phenyl-4-isoxazolyl)-
CAS Number:
88933-56-6
Molecular Formula:
C21H18N2O3
Molecular Weight:
346.3792
IUPAC Name:
3-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1H-indol-3-yl]propanoic acid
InChI:
InChI=1S/C21H18N2O3/c1-13-19(20(23-26-13)14-7-3-2-4-8-14)21-16(11-12-18(24)25)15-9-5-6-10-17(15)22-21/h2-10,22H,11-12H2,1H3,(H,24,25)
InChI Key:
GZBYRKPKYRCATF-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c([nH]c2c1cccc2)c1c(C)onc1c1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.386g/mol
Monoisotopic Mass:
346.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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