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77435-10-0 | 1H-Indole-2-acetic acid, 3-(ethoxycarbonyl)-, ethyl ester
CAS No: 77435-10-0 Catalog No: AG005BAP MDL No:MFCD14281978
Product Description
Catalog Number:
AG005BAP
Chemical Name:
1H-Indole-2-acetic acid, 3-(ethoxycarbonyl)-, ethyl ester
CAS Number:
77435-10-0
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
MDL Number:
MFCD14281978
IUPAC Name:
ethyl 2-(2-ethoxy-2-oxoethyl)-1H-indole-3-carboxylate
InChI:
InChI=1S/C15H17NO4/c1-3-19-13(17)9-12-14(15(18)20-4-2)10-7-5-6-8-11(10)16-12/h5-8,16H,3-4,9H2,1-2H3
InChI Key:
GSDUHPHWSVWASU-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1[nH]c2c(c1C(=O)OCC)cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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