AG003K8N

38580-68-6 | 4-(Hydroxymethyl)cyclohexanone

AG003K8N

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CAS Number	38580-68-6
Catalog Number	AG003K8N(AGN-PC-00JZ0H)
Chemical Name	4-(Hydroxymethyl)cyclohexanone
IUPAC Name	4-(hydroxymethyl)cyclohexan-1-one
InChI	InChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h6,8H,1-5H2
InChI Key	KHMBXNKCMNGLKG-UHFFFAOYSA-N
MDL Number	MFCD08056334
Molecular Formula	C7H12O2
Molecular Weight	128.1690
SMILES	O=C1CCC(CO)CC1
Synonyms	4-(HYDROXYMETHYL)CYCLOHEXANONE, 38580-68-6, 4-(Hydroxymethyl)cyclohexan-1-one, Cyclohexanone, 4-(hydroxymethyl)-, AK114473, MFCD08056334, PubChem20341, 4-hydroxymethyl cyclohexanone, 4-hydroxymethyl-cyclohexanone, SCHEMBL51476, (4-Oxocyclohex-1-yl)methanol, CTK1C0743, KS-00000NSQ, DTXSID40512455, KHMBXNKCMNGLKG-UHFFFAOYSA-N, 1-(Hydroxymethyl)-4-oxocyclohexane, ZX-AT004654, 4-(hydroxymethyl)-cyclohexan-1-one, OR6431, SBB054860, ZINC16124770, AKOS015906221, CS-W005330, FCH1121701, PS-5745, QC-8321, RP00876, TRA0062049, AJ-68375, SC-66212, SY023951, 4-(hydroxymethyl)cyclohexanone, AldrichCPR, AB0041235, AX8091342, DB-011241, FT-0744030, Y8952, A23352, K-8407, MFCD08056334 (95+%), M112042, I14-9832, J-513748, I14-21565, C7H12O2, 4-(hydroxymethyl)cyclohexanone, 95% - 1G 1g, 102-09-0,

Complexity	99.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.171g/mol
Monoisotopic Mass	128.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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