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141941-52-8 | 2-Butanone, 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-
CAS No: 141941-52-8 Catalog No: AG001HG1 MDL No:
Product Description
Catalog Number:
AG001HG1
Chemical Name:
2-Butanone, 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-
CAS Number:
141941-52-8
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
4-(2,2-dimethyl-1,3-dioxolan-4-yl)butan-2-one
InChI:
InChI=1S/C9H16O3/c1-7(10)4-5-8-6-11-9(2,3)12-8/h8H,4-6H2,1-3H3
InChI Key:
LRYABBGUJVTTNR-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1COC(O1)(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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