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881041-05-0 | ethyl 7-isopropyl-1H-indole-2-carboxylate
CAS No: 881041-05-0 Catalog No: AG004G36 MDL No:
Product Description
Catalog Number:
AG004G36
Chemical Name:
ethyl 7-isopropyl-1H-indole-2-carboxylate
CAS Number:
881041-05-0
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
ethyl 7-propan-2-yl-1H-indole-2-carboxylate
InChI:
InChI=1S/C14H17NO2/c1-4-17-14(16)12-8-10-6-5-7-11(9(2)3)13(10)15-12/h5-9,15H,4H2,1-3H3
InChI Key:
MOBUOOMMQHCDGS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)c(ccc2)C(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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