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25055-54-3 | 1H-Indole-3-acetic acid, 1-methyl-α-oxo-, ethyl ester
CAS No: 25055-54-3 Catalog No: AG002QB3 MDL No:
Product Description
Catalog Number:
AG002QB3
Chemical Name:
1H-Indole-3-acetic acid, 1-methyl-α-oxo-, ethyl ester
CAS Number:
25055-54-3
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
ethyl 2-(1-methylindol-3-yl)-2-oxoacetate
InChI:
InChI=1S/C13H13NO3/c1-3-17-13(16)12(15)10-8-14(2)11-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3
InChI Key:
DFLGCVGOABTHCE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cn(c2c1cccc2)C
NSC Number:
106238
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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