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2754-40-7 | 4,8-Ethano-1H,3H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone, hexahydro-
CAS No: 2754-40-7 Catalog No: AG002U17 MDL No:
Product Description
Catalog Number:
AG002U17
Chemical Name:
4,8-Ethano-1H,3H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone, hexahydro-
CAS Number:
2754-40-7
Molecular Formula:
C12H10O6
Molecular Weight:
250.2042
IUPAC Name:
4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone
InChI:
InChI=1S/C12H10O6/c13-9-5-3-1-2-4(7(5)11(15)17-9)8-6(3)10(14)18-12(8)16/h3-8H,1-2H2
InChI Key:
SUMLPYDNRMNBMB-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1C1CCC2C2C1C(=O)OC2=O
EC Number:
220-406-3
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.206g/mol
Monoisotopic Mass:
250.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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