AG003RKU

86576-86-5 | Methyl 2-(3-hydroxycyclohexyl)acetate

AG003RKU

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CAS Number	86576-86-5
Catalog Number	AG003RKU(AGN-PC-00KQW7)
Chemical Name	Methyl 2-(3-hydroxycyclohexyl)acetate
IUPAC Name	methyl 2-(3-hydroxycyclohexyl)acetate
InChI	InChI=1S/C9H16O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h7-8,10H,2-6H2,1H3
InChI Key	DERCSYDJGONUOX-UHFFFAOYSA-N
MDL Number	MFCD27930525
Molecular Formula	C9H16O3
Molecular Weight	172.2215
SMILES	COC(CC1CC(O)CCC1)=O
Synonyms	methyl 2-(3-hydroxycyclohexyl)acetate, 86576-86-5, SCHEMBL338206, DERCSYDJGONUOX-UHFFFAOYSA-N, 6910AJ, Methyl2-(3-Hydroxycyclohexyl)acetate, MFCD27930525, AKOS025243945, FCH2499611, KS-0000092O, AS-32657, SY028736, FT-0736121, MFCD27930525 (95+%), rac (3-hydroxy-cyclohexyl)-acetic acid methyl ester, C9H16O3,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.224g/mol
Monoisotopic Mass	172.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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