AG003IYT

61049-67-0 | 3-(Benzyloxy)-4H-pyran-4-one

AG003IYT

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CAS Number	61049-67-0
Catalog Number	AG003IYT(AGN-PC-0NCHF0)
Chemical Name	3-(Benzyloxy)-4H-pyran-4-one
IUPAC Name	3-phenylmethoxypyran-4-one
InChI	InChI=1S/C12H10O3/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChI Key	MKMZYQOQNQAGSX-UHFFFAOYSA-N
MDL Number	MFCD14156109
Molecular Formula	C12H10O3
Molecular Weight	202.2060
SMILES	O=C1C=COC=C1OCC1=CC=CC=C1
Synonyms	3-(Benzyloxy)-4H-pyran-4-one, 61049-67-0, 3-benzyloxy-4-pyrone, 4H-Pyran-4-one, 3-(phenylmethoxy)-, AK103191, 3-phenylmethoxypyran-4-one, 3-benzyloxy4-pyrone, ACMC-20aavn, 5-benzyloxy-4h-pyran-4-one, SCHEMBL2433094, CTK2E7962, DTXSID10447664, MKMZYQOQNQAGSX-UHFFFAOYSA-N, 9136AB, ANW-65025, MFCD14156109, ZINC14507779, AKOS016005069, CS-W006414, DS-4038, FCH1732769, TRA0023669, KS-000000M8, AJ-64934, CJ-14559, AX8234730, TC-020868, 4CH-025183, ST24041536, C12H10O3, CID10899678,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.063g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.209g/mol
Monoisotopic Mass	202.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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