AG00GAB4

85081-69-2 | rel-(1R,4E,pR)-Cyclooct-4-enol

AG00GAB4

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CAS Number	85081-69-2
Catalog Number	AG00GAB4
Chemical Name	rel-(1R,4E,pR)-Cyclooct-4-enol
EC Number	224-280-0
IUPAC Name	cyclooct-4-en-1-ol
InChI	InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-2,8-9H,3-7H2
InChI Key	UCPDHOTYYDHPEN-UHFFFAOYSA-N
MDL Number	MFCD24386370
Molecular Formula	C8H14O
Molecular Weight	126.1962
SMILES	C1(CCC=CCCC1)O
Synonyms	Cyclooct-4-en-1-ol, (E)-cyclooct-4-enol, (4Z)-cyclooct-4-en-1-ol, 85081-69-2, 5-hydroxycyclooct-1-ene, TCO-OH(A), TCO-OH(E), AC1L404T, CTK1D6419, UCPDHOTYYDHPEN-UHFFFAOYSA-N, ANW-60801, FC-6171-A, FC-6171-E, AKOS030228661, AK-79871, AK687187, 39637-78-0(85081-69-2 mixture), 39637-79-1(85081-69-2 mixture), Cyclooct-4-enol, 5-hydroxy-1-cyclooctene, CID98392, NSC119487, 4277-34-3,

Complexity	96.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.104g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.199g/mol
Monoisotopic Mass	126.104g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	1
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H318
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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