AG009F52

13380-85-3 | Methyl trans-4-hydroxymethylcyclohexanecarboxylate

AG009F52

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CAS Number	13380-85-3
Catalog Number	AG009F52(AGN-PC-0NFG4T)
Chemical Name	Methyl trans-4-hydroxymethylcyclohexanecarboxylate
IUPAC Name	methyl 4-(hydroxymethyl)cyclohexane-1-carboxylate
InChI	InChI=1S/C9H16O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3
InChI Key	KOGYKIDJFOMAOF-UHFFFAOYSA-N
MDL Number	MFCD02260048
Molecular Formula	C9H16O3
Molecular Weight	172.2215
SMILES	C(=O)(OC)C1CCC(CC1)CO
Synonyms	110928-44-4, methyl 4-(hydroxymethyl)cyclohexanecarboxylate, 13380-85-3, (1r,4r)-methyl 4-(hydroxymethyl)cyclohexanecarboxylate, trans-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate, Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester, trans-, Methyl trans-4-(hydroxymethyl)cyclohexanecarboxylate, METHYL TRANS-4-HYDROXYMETHYLCYCLOHEXANECARBOXYLATE, methyl (1r,4r)-4-(hydroxymethyl)cyclohexane-1-carboxylate, METHYL CIS-4-HYDROXYMETHYLCYCLOHEXANE-1-CARBOXYLATE, 110928-45-5, UNII-M86577ODUE, UNII-R58V1A8V4H, M86577ODUE, R58V1A8V4H, KOGYKIDJFOMAOF-UHFFFAOYSA-N, cis-methyl 4-(hydroxymethyl)cyclohexanecarboxylate, Methyl 4-(hydroxymethyl)cyclohexane-1-carboxylate, 4-Carbomethoxy-cyclohexane-1-methanol, 4-hydroxymethyl-cyclohexanecarboxylic acid methyl ester, AK127521, Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester, cis-, trans-4-hydroxymethyl-cyclohexanecarboxylic acid methyl ester, ACMC-20mdt9, ACMC-20c3w9, Methyl 4-hydroxymethylcyclohexanecarboxylate, cis-, SCHEMBL351398, SCHEMBL351399, SCHEMBL408809, SCHEMBL12204505, SCHEMBL14450649, AMCH00028, CTK0G1971, CTK0G1972, KS-00000RBJ, KOGYKIDJFOMAOF-OCAPTIKFSA-N, KOGYKIDJFOMAOF-ZKCHVHJHSA-N, BCP27209, CS-D1138, ZINC2579683, MFCD03840884, MFCD06799220, AKOS005145544, AKOS006284052, AKOS015851380, ZINC100009993, ZINC100590388, AN-4612, DS-5562, FCH1140232, SB11024, AJ-42852, AK-50934, BR-50934, cis-4-(Methoxycarboxyl)cyclohexanemethanol, DS-15567, SC-27840, AX8249312, DB-014447, Methyl 4-hydroxymethylcyclohexanecarboxylate, ST2407233, TC-062878, trans-4-(Methoxycarbonyl)cyclohexanemethanol, TX-010246, 4CH-010686, 4CH-017966, AM20070447, FT-0688795, ST24026016, X8966, KS-00000486, S-5039, M112085, (1r,4r)-methyl 4-(hydroxymethyl)cyclohexanecarboxy, Methyl 4-hydroxymethylcyclohexanecarboxylate, trans-, I14-10224, methyl trans-4-(hydroxymethyl)cyclohexane-carboxylate, trans-Methyl 4-(hydroxymethyl);cyclohexanecarboxylate, trans-methyl 4-(hydroxymethyl)cyclohexane carboxylate, 4-hydroxymethyl-cyclohexane carboxylic acid methyl ester, METHYLTRANS-4-HYDROXYMETHYLCYCLOHEXANECARBOXYLATE, Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, methyl ester, trans-4-(Hydroxymethyl)cyclohexanecarboxylic acid methyl ester, trans-4-(Hydroxymethyl)cyclohexanecarboxylic acid, methyl ester, UNII-93403M505F component KOGYKIDJFOMAOF-OCAPTIKFSA-N, UNII-93403M505F component KOGYKIDJFOMAOF-ZKCHVHJHSA-N, (1R,4R)-4-(hydroxymethyl)cyclohexanecarboxylic acid methyl ester, C9H16O3, ACN-045086, CID11073869, Methyl4-(hydroxymethyl)cyclohexanecarboxylate, A15113, (1R,4R)-Methyl4-(hydroxymethyl)cyclohexanecarboxylate, 32529-79-6, N/A,

Complexity	148
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	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number