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14771-33-6 | 1H-Indole-3-acetic acid, 5-methoxy-α-oxo-, ethyl ester
CAS No: 14771-33-6 Catalog No: AG001F4W MDL No:MFCD06200915
Product Description
Catalog Number:
AG001F4W
Chemical Name:
1H-Indole-3-acetic acid, 5-methoxy-α-oxo-, ethyl ester
CAS Number:
14771-33-6
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD06200915
IUPAC Name:
ethyl 2-(5-methoxy-1H-indol-3-yl)-2-oxoacetate
InChI:
InChI=1S/C13H13NO4/c1-3-18-13(16)12(15)10-7-14-11-5-4-8(17-2)6-9(10)11/h4-7,14H,3H2,1-2H3
InChI Key:
KAVIIWPDSFYACO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1c[nH]c2c1cc(OC)cc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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