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87920-18-1 | 2-Butanone, 1-(1,3-dioxolan-2-yl)-3,3-dimethyl-
CAS No: 87920-18-1 Catalog No: AG004HKA MDL No:
Product Description
Catalog Number:
AG004HKA
Chemical Name:
2-Butanone, 1-(1,3-dioxolan-2-yl)-3,3-dimethyl-
CAS Number:
87920-18-1
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
1-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-2-one
InChI:
InChI=1S/C9H16O3/c1-9(2,3)7(10)6-8-11-4-5-12-8/h8H,4-6H2,1-3H3
InChI Key:
NIXGXSZZRAYENG-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)CC1OCCO1
Properties
Complexity:
163
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:
0.9
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