AG003NOV

711-01-3 | Adamantane-1-carboxylic acid methyl ester

AG003NOV

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CAS Number	711-01-3
Catalog Number	AG003NOV(AGN-PC-0JMOXN)
Chemical Name	Adamantane-1-carboxylic acid methyl ester
IUPAC Name	methyl adamantane-1-carboxylate
InChI	InChI=1S/C12H18O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3
InChI Key	CLYOOVNORYNXMD-UHFFFAOYSA-N
MDL Number	MFCD01838519
Molecular Formula	C12H18O2
Molecular Weight	194.2701
SMILES	O=C(C12CC3CC(C2)CC(C3)C1)OC
Synonyms	methyl adamantane-1-carboxylate, 711-01-3, Adamantane-1-Carboxylic Acid Methyl Ester, Methyl 1-Adamantanecarboxylate, 1-Adamantanecarboxylic Acid Methyl Ester, 1-Adamantanecarboxylic acid, methyl ester, CLYOOVNORYNXMD-UHFFFAOYSA-N, Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, methyl ester, Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, methyl ester, (3r,5r,7r)-methyl adamantane-1-carboxylate, methyl adamantanecarboxylate, methyl (3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decane-1-carboxylate, Methyl 1-Adamantane Carboxylate, PubChem8842, 1-adamantyl carboxylic acid methyl ester, 1-Carbomethoxyadamantane, ACMC-209oha, 1-methoxycarbonyladamantane, ChemDiv1_019411, AC1L38RP, Methyl 1-Adamantylcarboxylate, 1-(Methoxycarbonyl)adamantane, KSC493Q0F, Methyl-1-adamantanecarboxylate, SCHEMBL905300, CTK3J3802, HMS642C07, KS-00000FLI, METHYL 1-ADAMANTYLFORMATE, DTXSID80221317, Adamantane-1-carboxylic acid methyl, ZINC3882861, 1028AC, ANW-35996, BBL033502, MFCD01838519, SBB056621, STK362865, AKOS001482980, AKOS005429959, AKOS006276254, CS-W010647, DS-3890, MCULE-7996572612, adamantan-1-carboxylic acid methyl ester, Adamantan-1-carboxylic acid, methyl ester, AJ-46720, AK114755, AN-47383, CJ-11111, DB-003024, RT-001716, FT-0658789, M2119, ST24031181, ST50202971, 711A013, A837076, AE-641/01648019, SR-01000396868, I14-7807, METHYL (3R,5S,7S)-ADAMANTANE-1-CARBOXYLATE, SR-01000396868-1, methyl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate, Tricyclo[3.3.1.13,7]decane-1-carboxylic Acid Methyl Ester, C12H18O2, CID136553, ACN-037063, ADAMANTANE-1-CARBOXYLICACIDMETHYLESTER,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.131g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.274g/mol
Monoisotopic Mass	194.131g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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