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81060-28-8 | 5,5a,8a,8b-tetrahydro-2h-naphtho[1,8-bc]furan-2,6(2ah)-dione
CAS No: 81060-28-8 Catalog No: AG005032 MDL No:
Product Description
Catalog Number:
AG005032
Chemical Name:
5,5a,8a,8b-tetrahydro-2h-naphtho[1,8-bc]furan-2,6(2ah)-dione
CAS Number:
81060-28-8
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
2-oxatricyclo[6.3.1.04,12]dodeca-5,10-diene-3,9-dione
InChI:
InChI=1S/C11H10O3/c12-8-4-5-9-10-6(8)2-1-3-7(10)11(13)14-9/h1,3-7,9-10H,2H2
InChI Key:
KXKAZYFRECVKHK-UHFFFAOYSA-N
SMILES:
O=C1C=CC2C3C1CC=CC3C(=O)O2
NSC Number:
69900
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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