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84604-64-8 | 3H-2-Benzopyran-3-one,octahydro-1-(1-methylethyl)-
CAS No: 84604-64-8 Catalog No: AG00511B MDL No:
Product Description
Catalog Number:
AG00511B
Chemical Name:
3H-2-Benzopyran-3-one,octahydro-1-(1-methylethyl)-
CAS Number:
84604-64-8
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
1-propan-2-yl-1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
InChI:
InChI=1S/C12H20O2/c1-8(2)12-10-6-4-3-5-9(10)7-11(13)14-12/h8-10,12H,3-7H2,1-2H3
InChI Key:
VODJLKMFVDDWEY-UHFFFAOYSA-N
SMILES:
O=C1CC2CCCCC2C(O1)C(C)C
EC Number:
283-346-7
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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