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100521-18-4 | 1,3-Dioxolane, 2,2'-(1,4-butanediyl)bis[4-methylene-
CAS No: 100521-18-4 Catalog No: AG00029D MDL No:
Product Description
Catalog Number:
AG00029D
Chemical Name:
1,3-Dioxolane, 2,2'-(1,4-butanediyl)bis[4-methylene-
CAS Number:
100521-18-4
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
4-methylidene-2-[4-(4-methylidene-1,3-dioxolan-2-yl)butyl]-1,3-dioxolane
InChI:
InChI=1S/C12H18O4/c1-9-7-13-11(15-9)5-3-4-6-12-14-8-10(2)16-12/h11-12H,1-8H2
InChI Key:
VASVKBSAJBEMMX-UHFFFAOYSA-N
SMILES:
C=C1COC(O1)CCCCC1OCC(=C)O1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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