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Home > Aldehydes > 185119-21-5
185119-21-5 | 3-Oxabicyclo[3.1.0]hexane-6-carboxaldehyde, 2-oxo-
CAS No: 185119-21-5 Catalog No: AG0074LX MDL No:
Product Description
Catalog Number:
AG0074LX
Chemical Name:
3-Oxabicyclo[3.1.0]hexane-6-carboxaldehyde, 2-oxo-
CAS Number:
185119-21-5
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
IUPAC Name:
2-oxo-3-oxabicyclo[3.1.0]hexane-6-carbaldehyde
InChI:
InChI=1S/C6H6O3/c7-1-3-4-2-9-6(8)5(3)4/h1,3-5H,2H2
InChI Key:
STQWCQBIIKPOSB-UHFFFAOYSA-N
SMILES:
O=CC1C2C1COC2=O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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