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82172-99-4 | 1,3-Dioxolane, 2-ethenyl-4-ethyl-
CAS No: 82172-99-4 Catalog No: AG0050ZH MDL No:
Product Description
Catalog Number:
AG0050ZH
Chemical Name:
1,3-Dioxolane, 2-ethenyl-4-ethyl-
CAS Number:
82172-99-4
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
2-ethenyl-4-ethyl-1,3-dioxolane
InChI:
InChI=1S/C7H12O2/c1-3-6-5-8-7(4-2)9-6/h4,6-7H,2-3,5H2,1H3
InChI Key:
WHKLHIFXZJXTOQ-UHFFFAOYSA-N
SMILES:
CCC1COC(O1)C=C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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