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143500-50-9 | 7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(3-methyl-3-butenyl)-
CAS No: 143500-50-9 Catalog No: AG006USE MDL No:
Product Description
Catalog Number:
AG006USE
Chemical Name:
7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(3-methyl-3-butenyl)-
CAS Number:
143500-50-9
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
5-hydroxy-3-(3-methylbut-3-enyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
InChI:
InChI=1S/C11H14O3/c1-6(2)3-4-7-5-8(12)10-11(14-10)9(7)13/h5,8,10-12H,1,3-4H2,2H3
InChI Key:
SOKWFYBMNKNSKE-UHFFFAOYSA-N
SMILES:
CC(=C)CCC1=CC(O)C2C(C1=O)O2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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