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163401-26-1

163401-26-1 | 1,3-Dioxolanium, 1-acetyl-

CAS No: 163401-26-1 Catalog No: AG001U3U MDL No:

Product Description

Catalog Number:
AG001U3U
Chemical Name:
1,3-Dioxolanium, 1-acetyl-
CAS Number:
163401-26-1
Molecular Formula:
C5H9O3+
Molecular Weight:
117.1232
IUPAC Name:
1-(1,3-dioxolan-1-ium-1-yl)ethanone
InChI:
InChI=1S/C5H9O3/c1-5(6)8-3-2-7-4-8/h2-4H2,1H3/q+1
InChI Key:
FHCTYBDJPIWMSQ-UHFFFAOYSA-N
SMILES:
CC(=O)[O+]1COCC1

Properties

Complexity:
99.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.055g/mol
Formal Charge:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.124g/mol
Monoisotopic Mass:
117.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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