AG00DFY0

443912-70-7 | 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-,methylester(9CI)

AG00DFY0

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CAS Number	443912-70-7
Catalog Number	AG00DFY0(AGN-PC-0NEJAK)
Chemical Name	2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-,methylester(9CI)
IUPAC Name	methyl 4-methyloxane-4-carboxylate
InChI	InChI=1S/C8H14O3/c1-8(7(9)10-2)3-5-11-6-4-8/h3-6H2,1-2H3
InChI Key	LWZSTDVWNKMIFQ-UHFFFAOYSA-N
MDL Number	MFCD12912101
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	O=C(C1(C)CCOCC1)OC
Synonyms	443912-70-7, Methyl 4-methyltetrahydro-2H-pyran-4-carboxylate, Methyl 4-methyloxane-4-carboxylate, 4-METHYL-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID METHYL ESTER, SCHEMBL1254604, CTK8C0654, DTXSID20452042, LWZSTDVWNKMIFQ-UHFFFAOYSA-N, 6112AB, ANW-65035, MFCD12912101, ZINC71617732, AKOS016005395, PB31671, KS-0000074G, AS-34523, AJ-118299, TC-153780, 4-methyl-4-oxanecarboxylic acid methyl ester, CS-0049028, methyl 4-methyltetrahydropyran-4-carboxylate, Q-1493, A826563, 4-methyltetrahydropyran-4-carboxylic acid methyl ester, 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-,methylester(9CI), C8H14O3, CID11019135, 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-,methylester, 2H-Pyran-4-carboxylic acid, tetrahydro-4-methyl-, methyl ester (9CI),

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.094g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.197g/mol
Monoisotopic Mass	158.094g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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