200,000+ products from a single source!
sales@angenechem.com
88037-78-9 | 1H-Benzimidazolium, 1-acetyl-4,5,6,7-tetrahydro-3-methyl-, acetate
CAS No: 88037-78-9 Catalog No: AG004N1N MDL No:
Product Description
Catalog Number:
AG004N1N
Chemical Name:
1H-Benzimidazolium, 1-acetyl-4,5,6,7-tetrahydro-3-methyl-, acetate
CAS Number:
88037-78-9
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
IUPAC Name:
1-(3-methyl-1,2,4,5,6,7-hexahydrobenzimidazol-1-ium-1-yl)ethanone;acetate
InChI:
InChI=1S/C10H16N2O.C2H4O2/c1-8(13)12-7-11(2)9-5-3-4-6-10(9)12;1-2(3)4/h3-7H2,1-2H3;1H3,(H,3,4)
InChI Key:
KQXGFRNRSZYUTN-UHFFFAOYSA-N
SMILES:
CN1C[NH+](C2=C1CCCC2)C(=O)C.[O-]C(=O)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.