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88790-44-7 | 1-Cyclohexene-1-carboxaldehyde, 5-methyl-3-oxo-
CAS No: 88790-44-7 Catalog No: AG004B1B MDL No:
Product Description
Catalog Number:
AG004B1B
Chemical Name:
1-Cyclohexene-1-carboxaldehyde, 5-methyl-3-oxo-
CAS Number:
88790-44-7
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
5-methyl-3-oxocyclohexene-1-carbaldehyde
InChI:
InChI=1S/C8H10O2/c1-6-2-7(5-9)4-8(10)3-6/h4-6H,2-3H2,1H3
InChI Key:
LQLFSHZYXVGUOJ-UHFFFAOYSA-N
SMILES:
O=CC1=CC(=O)CC(C1)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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