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Home > Aldehydes > 111016-60-5
111016-60-5 | 1-Cyclohexene-1-carboxaldehyde, 3-hydroxy-2-methyl-
CAS No: 111016-60-5 Catalog No: AG007TW6 MDL No:
Product Description
Catalog Number:
AG007TW6
Chemical Name:
1-Cyclohexene-1-carboxaldehyde, 3-hydroxy-2-methyl-
CAS Number:
111016-60-5
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
3-hydroxy-2-methylcyclohexene-1-carbaldehyde
InChI:
InChI=1S/C8H12O2/c1-6-7(5-9)3-2-4-8(6)10/h5,8,10H,2-4H2,1H3
InChI Key:
FLLYHVCZPMOVGH-UHFFFAOYSA-N
SMILES:
O=CC1=C(C)C(CCC1)O
Properties
Complexity:
170
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:
1
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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