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1207194-48-6 | tert-Butyl 4-formylindoline-1-carboxylate
CAS No: 1207194-48-6 Catalog No: AG003E1Y MDL No:MFCD14585005
Product Description
Catalog Number:
AG003E1Y
Chemical Name:
tert-Butyl 4-formylindoline-1-carboxylate
CAS Number:
1207194-48-6
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD14585005
IUPAC Name:
tert-butyl 4-formyl-2,3-dihydroindole-1-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-8-7-11-10(9-16)5-4-6-12(11)15/h4-6,9H,7-8H2,1-3H3
InChI Key:
FEAIDQMPFVVRKA-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1ccn2C(=O)OC(C)(C)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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