AG000IJC

1193-20-0 | 4H-Pyran-4-one, tetrahydro-2-methyl-

AG000IJC

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CAS Number	1193-20-0
Catalog Number	AG000IJC(AGN-PC-0MZ6VK)
Chemical Name	4H-Pyran-4-one, tetrahydro-2-methyl-
IUPAC Name	2-methyloxan-4-one
InChI	InChI=1S/C6H10O2/c1-5-4-6(7)2-3-8-5/h5H,2-4H2,1H3
InChI Key	MQOPUXINXNVMKJ-UHFFFAOYSA-N
MDL Number	MFCD15071428
Molecular Formula	C6H10O2
Molecular Weight	114.1424
SMILES	CC1OCCC(C1)=O
Synonyms	1193-20-0, 2-methyloxan-4-one, 2-METHYL-TETRAHYDRO-PYRAN-4-ONE, 2-Methyldihydro-2H-pyran-4(3H)-one, 2-methyl-tetrahydropyran-4-one, 2-methyltetrahydropyran-4-one, 2-methyltetrahydro-4H-pyran-4-one, 4H-Pyran-4-one, tetrahydro-2-methyl-, (S)-2-Methyldihydro-2H-pyran-4(3H)-one, methyltetrahydro-4-pyranone, SCHEMBL534120, DTXSID30438791, MQOPUXINXNVMKJ-UHFFFAOYSA-N, 3309AA, MFCD15071428, AKOS013422546, CS-W004274, MCULE-3051168755, PB18115, 2- Methyldihydro-2H-pyran-4(3H)-one, AS-51040, SC-43658, AB0047286, DB-061554, 4CH-005722, FT-0743739, TETRAHYDRO-2-METHYL-4H-PYRAN-4-ONE, Q-1502, 2-Methyl-2,3,5,6-tetrahydro-4H-pyran-4-one, Z1587257689, C6H10O2, ACN-029498, CID10374434, (R)-2-Methyldihydro-2H-pyran-4(3H)-one, 82110-21-2, 82110-22-3,

Complexity	98.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	114.144g/mol
Monoisotopic Mass	114.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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