200,000+ products from a single source!

sales@angenechem.com

Home > Carboxes > 1000341-47-8

1000341-47-8

1000341-47-8 | 1H-Indole-2,4-dicarboxylic acid, 6-(1,1-dimethylethyl)-

CAS No: 1000341-47-8 Catalog No: AG0000GG MDL No:

Product Description

Catalog Number:
AG0000GG
Chemical Name:
1H-Indole-2,4-dicarboxylic acid, 6-(1,1-dimethylethyl)-
CAS Number:
1000341-47-8
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
IUPAC Name:
6-tert-butyl-1H-indole-2,4-dicarboxylic acid
InChI:
InChI=1S/C14H15NO4/c1-14(2,3)7-4-9(12(16)17)8-6-11(13(18)19)15-10(8)5-7/h4-6,15H,1-3H3,(H,16,17)(H,18,19)
InChI Key:
LZKHMNSBBJJXST-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc2c1cc([nH]2)C(=O)O)C(C)(C)C

Properties

Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

© 2019 Angene International Limited. All rights Reserved.