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Home > Other Heterocycles > 115977-19-0
115977-19-0 | 2,4-Dioxabicyclo[3.2.0]hept-6-ene, 3,3-dimethyl-
CAS No: 115977-19-0 Catalog No: AG000H94 MDL No:
Product Description
Catalog Number:
AG000H94
Chemical Name:
2,4-Dioxabicyclo[3.2.0]hept-6-ene, 3,3-dimethyl-
CAS Number:
115977-19-0
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
3,3-dimethyl-2,4-dioxabicyclo[3.2.0]hept-6-ene
InChI:
InChI=1S/C7H10O2/c1-7(2)8-5-3-4-6(5)9-7/h3-6H,1-2H3
InChI Key:
ULEKIRZLTQTIAO-UHFFFAOYSA-N
SMILES:
CC1(C)OC2C(O1)C=C2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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