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87802-43-5 | 1,3-Dioxolane, 2-(1,1-dimethyl-3-butenyl)-
CAS No: 87802-43-5 Catalog No: AG004K52 MDL No:
Product Description
Catalog Number:
AG004K52
Chemical Name:
1,3-Dioxolane, 2-(1,1-dimethyl-3-butenyl)-
CAS Number:
87802-43-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
2-(2-methylpent-4-en-2-yl)-1,3-dioxolane
InChI:
InChI=1S/C9H16O2/c1-4-5-9(2,3)8-10-6-7-11-8/h4,8H,1,5-7H2,2-3H3
InChI Key:
NABCSACLZYEFBG-UHFFFAOYSA-N
SMILES:
C=CCC(C1OCCO1)(C)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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