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89517-73-7 | 2-Butanone, 1-chloro-3-(1,3-dioxolan-2-yl)-3-methyl-
CAS No: 89517-73-7 Catalog No: AG0040VQ MDL No:
Product Description
Catalog Number:
AG0040VQ
Chemical Name:
2-Butanone, 1-chloro-3-(1,3-dioxolan-2-yl)-3-methyl-
CAS Number:
89517-73-7
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
IUPAC Name:
1-chloro-3-(1,3-dioxolan-2-yl)-3-methylbutan-2-one
InChI:
InChI=1S/C8H13ClO3/c1-8(2,6(10)5-9)7-11-3-4-12-7/h7H,3-5H2,1-2H3
InChI Key:
CURJJLPKEDNNJU-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(C1OCCO1)(C)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.639g/mol
Monoisotopic Mass:
192.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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