4-Hydroxycyclohexanecarboxaldehyde - CAS 578717-91-6

Catalog:	BB063602
Product Name:	4-Hydroxycyclohexanecarboxaldehyde
CAS:	578717-91-6
Synonyms:	4-hydroxycyclohexanecarboxaldehyde; 4-Hydroxycyclohexanecarbaldehyde; trans-4-Hydroxycyclohexane-1-carbaldehyde; 4-hydroxycyclohexane-1-carbaldehyde

Technical Data

IUPAC Name:	4-hydroxycyclohexane-1-carbaldehyde
Description:	4-Hydroxycyclohexanecarboxaldehyde is derived from 1,4-Cyclohexanedione Monoethylene Acetal (C987955), which is used in the preparation of series of potent analgesic compounds. 1,4-Cyclohexanedione Monoethylene Acetal is also used as a building block in the synthesis of tritium labelled probes for the autoradiography study of the dopamine reuptake complex.
Molecular Weight:	128.17
Molecular Formula:	C7H12O2
Canonical SMILES:	C1CC(CCC1C=O)O
InChI:	InChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h5-7,9H,1-4H2
InChI Key:	QKPFGUJMNAMMPD-UHFFFAOYSA-N
References:	Linders, J. et al. J. Lab. Comp. Radiopharm., 31, 671 (1992); Lednicer, D. et al. J. Med. Chem., 22, 1157 (1979).

Complexity:	93.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.083729621
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.083729621
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3