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Home > Aldehydes > 142179-21-3
142179-21-3 | 1-Cyclohexene-1-carboxaldehyde, 2-hydroxy-4-methyl-
CAS No: 142179-21-3 Catalog No: AG001HX2 MDL No:
Product Description
Catalog Number:
AG001HX2
Chemical Name:
1-Cyclohexene-1-carboxaldehyde, 2-hydroxy-4-methyl-
CAS Number:
142179-21-3
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
2-(hydroxymethylidene)-5-methylcyclohexan-1-one
InChI:
InChI=1S/C8H12O2/c1-6-2-3-7(5-9)8(10)4-6/h5-6,9H,2-4H2,1H3
InChI Key:
ZNCGFEPMSVQRPI-UHFFFAOYSA-N
SMILES:
O=CC1=C(O)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:
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:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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