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28620-73-7

28620-73-7 | 7-Oxatricyclo[4.3.0.03,9]nonan-8-one, 9-methyl- (8CI,9CI)

CAS No: 28620-73-7 Catalog No: AG002VVI MDL No:

Product Description

Catalog Number:
AG002VVI
Chemical Name:
7-Oxatricyclo[4.3.0.03,9]nonan-8-one, 9-methyl- (8CI,9CI)
CAS Number:
28620-73-7
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
9-methyl-7-oxatricyclo[4.3.0.03,9]nonan-8-one
InChI:
InChI=1S/C9H12O2/c1-9-5-2-3-7(6(9)4-5)11-8(9)10/h5-7H,2-4H2,1H3
InChI Key:
VUUZOBUHCOZVQJ-UHFFFAOYSA-N
SMILES:
O=C1OC2C3C1(C)C(CC2)C3
NSC Number:
138614

Properties

Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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