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88298-21-9 | 5-Cyclodecen-1-one, 4-methyl-
CAS No: 88298-21-9 Catalog No: AG00499Q MDL No:
Product Description
Catalog Number:
AG00499Q
Chemical Name:
5-Cyclodecen-1-one, 4-methyl-
CAS Number:
88298-21-9
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
4-methylcyclodec-5-en-1-one
InChI:
InChI=1S/C11H18O/c1-10-6-4-2-3-5-7-11(12)9-8-10/h4,6,10H,2-3,5,7-9H2,1H3
InChI Key:
CPVZTUSHOMAJCO-UHFFFAOYSA-N
SMILES:
O=C1CCCCC=CC(CC1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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