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90043-51-9 | Ethanone, 1-(1,4-dimethyl-2,3,7-trioxabicyclo[2.2.1]hept-5-en-5-yl)-
CAS No: 90043-51-9 Catalog No: AG006LGX MDL No:
Product Description
Catalog Number:
AG006LGX
Chemical Name:
Ethanone, 1-(1,4-dimethyl-2,3,7-trioxabicyclo[2.2.1]hept-5-en-5-yl)-
CAS Number:
90043-51-9
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
IUPAC Name:
1-(1,4-dimethyl-2,3,7-trioxabicyclo[2.2.1]hept-5-en-5-yl)ethanone
InChI:
InChI=1S/C8H10O4/c1-5(9)6-4-7(2)10-8(6,3)12-11-7/h4H,1-3H3
InChI Key:
WXWJCRBPDPTMFS-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CC2(OC1(C)OO2)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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