Home Carboxys 1-[(tert-butoxy)carbonyl]-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

1-[(tert-butoxy)carbonyl]-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

CAS No.:
2059937-93-6
Catalog Number:
AG01B7BQ
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
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Product Description
Catalog Number:
AG01B7BQ
Chemical Name:
1-[(tert-butoxy)carbonyl]-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CAS Number:
2059937-93-6
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
MDL Number:
MFCD30751357
IUPAC Name:
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
InChI:
InChI=1S/C15H19NO4/c1-9-6-5-7-11-10(9)8-12(13(17)18)16(11)14(19)20-15(2,3)4/h5-7,12H,8H2,1-4H3,(H,17,18)
InChI Key:
DEFXTMAIUBDBLO-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(N1C(=O)OC(C)(C)C)cccc2C
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties