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176912-65-5 | 6,8-Dioxabicyclo[3.2.1]oct-2-ene-2-carboxaldehyde, 4-oxo-, (1S)- (9CI)
CAS No: 176912-65-5 Catalog No: AG0024ZF MDL No:
Product Description
Catalog Number:
AG0024ZF
Chemical Name:
6,8-Dioxabicyclo[3.2.1]oct-2-ene-2-carboxaldehyde, 4-oxo-, (1S)- (9CI)
CAS Number:
176912-65-5
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
IUPAC Name:
(1S)-4-oxo-6,8-dioxabicyclo[3.2.1]oct-2-ene-2-carbaldehyde
InChI:
InChI=1S/C7H6O4/c8-2-4-1-5(9)7-10-3-6(4)11-7/h1-2,6-7H,3H2/t6-,7?/m1/s1
InChI Key:
HAQLSIYWZYOTRG-ULUSZKPHSA-N
SMILES:
O=CC1=CC(=O)C2O[C@@H]1CO2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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