Home Other Building Blocks 4-oxatricyclo[4.2.1.0,3,7]nonan-2-one

4-oxatricyclo[4.2.1.0,3,7]nonan-2-one

CAS No.:
1864003-34-8
Catalog Number:
AG01C15A
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
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Product Description
Catalog Number:
AG01C15A
Chemical Name:
4-oxatricyclo[4.2.1.0,3,7]nonan-2-one
CAS Number:
1864003-34-8
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
MDL Number:
MFCD29041290
IUPAC Name:
(1R,3S,6S,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-one
InChI:
InChI=1S/C8H10O2/c9-7-4-1-5-3-10-8(7)6(5)2-4/h4-6,8H,1-3H2/t4-,5-,6+,8+/m1/s1
InChI Key:
QRFFKYMDZIKTTG-NRFSWKIWSA-N
SMILES:
O=C1[C@@H]2C[C@H]3[C@@H]([C@@H]1OC3)C2
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties