3-(4-Oxocyclohexyl)propionic Acid - CAS 4883-70-9

Catalog:	BB026601
Product Name:	3-(4-Oxocyclohexyl)propionic Acid
CAS:	4883-70-9
Synonyms:	3-(4-oxocyclohexyl)propanoic acid; 3-(4-oxocyclohexyl)propanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(4-oxocyclohexyl)propanoic acid
Description:	3-(4-Oxocyclohexyl)propionic Acid (CAS# 4883-70-9) is a useful research chemical.
Molecular Weight:	170.21
Molecular Formula:	C9H14O3
Canonical SMILES:	C1CC(=O)CCC1CCC(=O)O
InChI:	InChI=1S/C9H14O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h7H,1-6H2,(H,11,12)
InChI Key:	QKUBCBWCNZAGJK-UHFFFAOYSA-N
LogP:	1.61050

Publication Number	Title	Priority Date
EP-2831144-A1	Process for preparing poly(n-acylamides) and poly(n-acylamides) as obtained	20120328
FR-2988726-A1	Process for the preparation of poly (n-acylamides) and poly (n-acylamides) as obtained	20120328
WO-2013143919-A1	Process for preparing poly(n-acylamides) and poly(n-acylamides) as obtained	20120328
CN-101918363-A	Phenyl acetamide derivative	20080118
TW-200942239-A	Phenylacetamide derivatives	20080118

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Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.094294304
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.094294304
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5