AG00058L

101691-94-5 | 2H-Pyran, tetrahydro-4-(iodomethyl)-

AG00058L

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CAS Number	101691-94-5
Catalog Number	AG00058L(AGN-PC-0KL7KV)
Chemical Name	2H-Pyran, tetrahydro-4-(iodomethyl)-
IUPAC Name	4-(iodomethyl)oxane
InChI	InChI=1S/C6H11IO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2
InChI Key	MQLFSPBSNWUXSO-UHFFFAOYSA-N
MDL Number	MFCD06410724
Molecular Formula	C6H11IO
Molecular Weight	226.0554
SMILES	ICC1CCOCC1
Synonyms	4-(iodomethyl)tetrahydro-2H-pyran, 101691-94-5, 4-(iodomethyl)oxane, 4-Iodomethyl-tetrahydro-pyran, 4-(IODOMETHYL)TETRAHYDROPYRAN, 2H-PYRAN, TETRAHYDRO-4-(IODOMETHYL)-, 4-(iodomethyl)-tetrahydro-2H-pyran, 2H-Pyran,tetrahydro-4-(iodomethyl)-, ACMC-20a1ce, AC1MDTJ3, 4-iodomethyltetrahydropyran, C6H11IO, SCHEMBL523901, 4-(iodomethyl)-tetrahydropyran, CTK4A0110, DTXSID80383727, MQLFSPBSNWUXSO-UHFFFAOYSA-N, BCP26696, KS-000002UZ, ZINC4277318, ANW-52668, CI-006, MFCD06410724, SBB096906, AKOS013154162, CS-W001910, DS-2117, PB24898, RP05386, RTC-062953, AJ-50083, AK-51037, 4-(Iodomethyl)tetrahydro-2H-pyran, 97%, AB0039350, ST2418024, TC-062953, 4CH-013853, AM20070671, FT-0768644, Y6802, 4-(iodomethyl)-2H-3,4,5,6-tetrahydropyran, EN300-81799, Q-1251, J-650329, W-204422, I14-10209, ZINC04277318, ACN-046080, CID2795507, A15058,

Complexity	59.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.985g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.057g/mol
Monoisotopic Mass	225.985g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	UN 3265

Certificate of Analysis

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