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101156-12-1 | 2-Butanone, 4-[4-(chloromethyl)-2-methyl-1,3-dioxolan-2-yl]-
CAS No: 101156-12-1 Catalog No: AG0003UY MDL No:
Product Description
Catalog Number:
AG0003UY
Chemical Name:
2-Butanone, 4-[4-(chloromethyl)-2-methyl-1,3-dioxolan-2-yl]-
CAS Number:
101156-12-1
Molecular Formula:
C9H15ClO3
Molecular Weight:
206.6666
IUPAC Name:
4-[4-(chloromethyl)-2-methyl-1,3-dioxolan-2-yl]butan-2-one
InChI:
InChI=1S/C9H15ClO3/c1-7(11)3-4-9(2)12-6-8(5-10)13-9/h8H,3-6H2,1-2H3
InChI Key:
HFEUWGGKOPVURR-UHFFFAOYSA-N
SMILES:
ClCC1COC(O1)(C)CCC(=O)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.666g/mol
Monoisotopic Mass:
206.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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