AG001OGI

156002-64-1 | 2H-Pyran-4-acetic acid, tetrahydro-, methyl ester

AG001OGI

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CAS Number	156002-64-1
Catalog Number	AG001OGI(AGN-PC-07XTU2)
Chemical Name	2H-Pyran-4-acetic acid, tetrahydro-, methyl ester
IUPAC Name	methyl 2-(oxan-4-yl)acetate
InChI	InChI=1S/C8H14O3/c1-10-8(9)6-7-2-4-11-5-3-7/h7H,2-6H2,1H3
InChI Key	AQZRATSFTMXYLW-UHFFFAOYSA-N
MDL Number	MFCD09972087
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	COC(=O)CC1CCOCC1
Synonyms	METHYL 2-(TETRAHYDRO-2H-PYRAN-4-YL)ACETATE, 156002-64-1, methyl 2-(oxan-4-yl)acetate, (Tetrahydropyran-4-yl)acetic acid methyl ester, 2H-Pyran-4-acetic acid, tetrahydro-, methyl ester, methyl tetrahydropyran-4-acetate, Methyl (oxan-4-yl)acetate, ACMC-209dd6, SCHEMBL1604518, CTK4C8923, KS-00000PDA, DTXSID70674419, AQZRATSFTMXYLW-UHFFFAOYSA-N, ANW-21592, MFCD09972087, ZINC38536988, AKOS006310078, CS-W001903, GS-6216, MCULE-8506370541, methyl tetrahydro-2H-pyran-4-ylacetate, RTR-006529, SB12374, AJ-95786, AK-76203, TR-006529, 4CH-001556, V3532, B-3419, I14-25512, 4-Amino-2-nitropyridine, C8H14O3, METHYL2-(TETRAHYDRO-2H-PYRAN-4-YL)ACETATE,

Complexity	127
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	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

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