AG003596

84355-44-2 | Methyl tetrahydro-2H-pyran-2-carboxylate

AG003596

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CAS Number	84355-44-2
Catalog Number	AG003596(AGN-PC-00N5RI)
Chemical Name	Methyl tetrahydro-2H-pyran-2-carboxylate
IUPAC Name	methyl oxane-2-carboxylate
InChI	InChI=1S/C7H12O3/c1-9-7(8)6-4-2-3-5-10-6/h6H,2-5H2,1H3
InChI Key	MHZRCUVVJMWSMP-UHFFFAOYSA-N
MDL Number	MFCD12198853
Molecular Formula	C7H12O3
Molecular Weight	144.1684
SMILES	COC(=O)C1CCCCO1
Synonyms	84355-44-2, methyl tetrahydro-2H-pyran-2-carboxylate, METHYL TETRAHYDROPYRAN-2-CARBOXYLATE, methyl oxane-2-carboxylate, 2H-Pyran-2-carboxylic acid, tetrahydro-, methyl ester, PubChem19541, ACMC-209pud, SCHEMBL2200874, CTK2I5762, DTXSID80544311, MHZRCUVVJMWSMP-UHFFFAOYSA-N, 2-oxanecarboxylic acid methyl ester, 2961AC, ANW-37763, KM2204, MFCD12198853, AKOS011496261, CM-2046, CS-W001905, RL05185, TRA0080212, AK-82436, DS-16620, SC-21895, SY005329, DB-012963, TC-126508, FT-0768284, tetrahydro-pyran-2-carboxylic acid methyl ester, MFCD12198853 (97+%), A840760, Tetrahydro-2H-pyran-2-carboxylic acid methyl ester, C7H12O3, METHYL TETRAHYDROPYRAN-3-CARBOXYLATE,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.17g/mol
Monoisotopic Mass	144.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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