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1215205-77-8 | 1H-Indole-1-carboxylic acid, 7-methoxy-, 1,1-dimethylethyl ester
CAS No: 1215205-77-8 Catalog No: AG00155I MDL No:MFCD15143582
Product Description
Catalog Number:
AG00155I
Chemical Name:
1H-Indole-1-carboxylic acid, 7-methoxy-, 1,1-dimethylethyl ester
CAS Number:
1215205-77-8
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD15143582
IUPAC Name:
tert-butyl 7-methoxyindole-1-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-9-8-10-6-5-7-11(17-4)12(10)15/h5-9H,1-4H3
InChI Key:
DWMPQAJKVAOOOW-UHFFFAOYSA-N
SMILES:
COc1cccc2c1n(cc2)C(=O)OC(C)(C)C
Properties
Complexity:
311
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:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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