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Home > Other Heterocycles > 85620-42-4
85620-42-4 | Spiro[4.5]deca-2,6-dien-1-one, 6-methyl-
CAS No: 85620-42-4 Catalog No: AG004TNW MDL No:
Product Description
Catalog Number:
AG004TNW
Chemical Name:
Spiro[4.5]deca-2,6-dien-1-one, 6-methyl-
CAS Number:
85620-42-4
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
10-methylspiro[4.5]deca-2,9-dien-4-one
InChI:
InChI=1S/C11H14O/c1-9-5-2-3-7-11(9)8-4-6-10(11)12/h4-6H,2-3,7-8H2,1H3
InChI Key:
OOTGMLILFKXAMM-UHFFFAOYSA-N
SMILES:
CC1=CCCCC21CC=CC2=O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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