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87051-04-5 | 5,8-Methano-1,2,4-benzotrioxin, hexahydro-4a-methoxy-3-methyl-
CAS No: 87051-04-5 Catalog No: AG004GJ2 MDL No:
Product Description
Catalog Number:
AG004GJ2
Chemical Name:
5,8-Methano-1,2,4-benzotrioxin, hexahydro-4a-methoxy-3-methyl-
CAS Number:
87051-04-5
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
7-methoxy-5-methyl-3,4,6-trioxatricyclo[6.2.1.02,7]undecane
InChI:
InChI=1S/C10H16O4/c1-6-12-10(11-2)8-4-3-7(5-8)9(10)14-13-6/h6-9H,3-5H2,1-2H3
InChI Key:
HINADYPPTAXJMZ-UHFFFAOYSA-N
SMILES:
COC12OC(C)OOC2C2CC1CC2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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