200,000+ products from a single source!
sales@angenechem.com
208774-11-2 | 1H-Indole-1,4-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester
CAS No: 208774-11-2 Catalog No: AG002JVP MDL No:MFCD11617213
Product Description
Catalog Number:
AG002JVP
Chemical Name:
1H-Indole-1,4-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester
CAS Number:
208774-11-2
Molecular Formula:
C14H16NO4-
Molecular Weight:
262.2811
MDL Number:
MFCD11617213
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-4-carboxylic acid
InChI:
InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-8-7-9-10(12(16)17)5-4-6-11(9)15/h4-6H,7-8H2,1-3H3,(H,16,17)
InChI Key:
GBLIAEPBAXYOCN-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c1cccc2C(=O)[O-])OC(C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.