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87802-26-4 | 2-Pentanone, 4-(1,3-dioxolan-2-yl)-4-methyl-
CAS No: 87802-26-4 Catalog No: AG004K55 MDL No:
Product Description
Catalog Number:
AG004K55
Chemical Name:
2-Pentanone, 4-(1,3-dioxolan-2-yl)-4-methyl-
CAS Number:
87802-26-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
4-(1,3-dioxolan-2-yl)-4-methylpentan-2-one
InChI:
InChI=1S/C9H16O3/c1-7(10)6-9(2,3)8-11-4-5-12-8/h8H,4-6H2,1-3H3
InChI Key:
DTDUESHSCWUUHA-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C1OCCO1)(C)C
Properties
Complexity:
169
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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