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Home > Other Heterocycles > 64197-90-6
64197-90-6 | 3-Oxabicyclo[3.2.0]hept-6-ene-2,4-dione, 1,5-dimethyl-
CAS No: 64197-90-6 Catalog No: AG00H8PA MDL No:
Product Description
Catalog Number:
AG00H8PA
Chemical Name:
3-Oxabicyclo[3.2.0]hept-6-ene-2,4-dione, 1,5-dimethyl-
CAS Number:
64197-90-6
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
IUPAC Name:
1,5-dimethyl-3-oxabicyclo[3.2.0]hept-6-ene-2,4-dione
InChI:
InChI=1S/C8H8O3/c1-7-3-4-8(7,2)6(10)11-5(7)9/h3-4H,1-2H3
InChI Key:
PMBVRKGYNIHCGN-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2(C1(C)C=C2)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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