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113616-84-5 | 2H-Pyran, 3-(1,3-dioxolan-2-ylmethyl)tetrahydro-4-(2-propenyl)-, trans- (9CI)
CAS No: 113616-84-5 Catalog No: AG000953 MDL No:
Product Description
Catalog Number:
AG000953
Chemical Name:
2H-Pyran, 3-(1,3-dioxolan-2-ylmethyl)tetrahydro-4-(2-propenyl)-, trans- (9CI)
CAS Number:
113616-84-5
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
3-(1,3-dioxolan-2-ylmethyl)-4-prop-2-enyloxane
InChI:
InChI=1S/C12H20O3/c1-2-3-10-4-5-13-9-11(10)8-12-14-6-7-15-12/h2,10-12H,1,3-9H2
InChI Key:
ZLFMDGJPMUUHHZ-UHFFFAOYSA-N
SMILES:
C=CC[C@@H]1CCOC[C@H]1CC1OCCO1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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