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6412-87-9 | 6,7-Dihydro-5H-indeno[5,6-d][1,3]dioxol-5-one
CAS No: 6412-87-9 Catalog No: AG003MAE MDL No:MFCD01925052
Product Description
Catalog Number:
AG003MAE
Chemical Name:
6,7-Dihydro-5H-indeno[5,6-d][1,3]dioxol-5-one
CAS Number:
6412-87-9
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD01925052
IUPAC Name:
5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
InChI:
InChI=1S/C10H8O3/c11-8-2-1-6-3-9-10(4-7(6)8)13-5-12-9/h3-4H,1-2,5H2
InChI Key:
LKLNTTMWFRNYLE-UHFFFAOYSA-N
SMILES:
O=C1CCc2c1cc1OCOc1c2
NSC Number:
65075
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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