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1194-91-8 | Cyclohexanecarboxaldehyde, 3-methyl-2-oxo-
CAS No: 1194-91-8 Catalog No: AG000IPD MDL No:
Product Description
Catalog Number:
AG000IPD
Chemical Name:
Cyclohexanecarboxaldehyde, 3-methyl-2-oxo-
CAS Number:
1194-91-8
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
3-methyl-2-oxocyclohexane-1-carbaldehyde
InChI:
InChI=1S/C8H12O2/c1-6-3-2-4-7(5-9)8(6)10/h5-7H,2-4H2,1H3
InChI Key:
PHHIDZMYCXEFKO-UHFFFAOYSA-N
SMILES:
O=CC1CCCC(C1=O)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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