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94201-11-3 | alpha-Methylcyclooct-1-ene-1-propionaldehyde
CAS No: 94201-11-3 Catalog No: AG006OMP MDL No:
Product Description
Catalog Number:
AG006OMP
Chemical Name:
alpha-Methylcyclooct-1-ene-1-propionaldehyde
CAS Number:
94201-11-3
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
3-[(1E)-cycloocten-1-yl]-2-methylpropanal
InChI:
InChI=1S/C12H20O/c1-11(10-13)9-12-7-5-3-2-4-6-8-12/h7,10-11H,2-6,8-9H2,1H3/b12-7+
InChI Key:
KEEMHCSHXIQTKW-KPKJPENVSA-N
SMILES:
O=CC(CC1=CCCCCCC1)C
EC Number:
303-593-7
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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