200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1255574-64-1
1255574-64-1 | 1H-Benzimidazole-1,2-dicarboxylic acid, 2,3-dihydro-2-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) ester
CAS No: 1255574-64-1 Catalog No: AG000NV5 MDL No:MFCD17214279
Product Description
Catalog Number:
AG000NV5
Chemical Name:
1H-Benzimidazole-1,2-dicarboxylic acid, 2,3-dihydro-2-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
1255574-64-1
Molecular Formula:
C16H19N2O4-
Molecular Weight:
303.3331
MDL Number:
MFCD17214279
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enyl-1H-benzimidazole-2-carboxylic acid
InChI:
InChI=1S/C16H20N2O4/c1-5-10-16(13(19)20)17-11-8-6-7-9-12(11)18(16)14(21)22-15(2,3)4/h5-9,17H,1,10H2,2-4H3,(H,19,20)
InChI Key:
CRQAWJMUMHLQEO-UHFFFAOYSA-N
SMILES:
C=CCC1(Nc2c(N1C(=O)OC(C)(C)C)cccc2)C(=O)[O-]
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.346g/mol
Monoisotopic Mass:
304.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.