AG000PKF

119736-16-2 | 4H-Pyran-2-carboxylic acid, 4-oxo-3-(phenylmethoxy)-

AG000PKF

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	119736-16-2
Catalog Number	AG000PKF(AGN-PC-03FRAI)
Chemical Name	4H-Pyran-2-carboxylic acid, 4-oxo-3-(phenylmethoxy)-
IUPAC Name	4-oxo-3-phenylmethoxypyran-2-carboxylic acid
InChI	InChI=1S/C13H10O5/c14-10-6-7-17-12(13(15)16)11(10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChI Key	KJSJBKBZMGSIPT-UHFFFAOYSA-N
MDL Number	MFCD22741607
Molecular Formula	C13H10O5
Molecular Weight	246.2155
SMILES	O=C1C(=C(OC=C1)C(=O)O)OCC1=CC=CC=C1
Synonyms	3-(benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid, 119736-16-2, AK171248, 3-benzyloxy-4-oxo-4H-pyran-2-carboxylic acid, 4H-Pyran-2-carboxylic acid, 4-oxo-3-(phenylmethoxy)-, SCHEMBL86223, SCHEMBL3308907, KJSJBKBZMGSIPT-UHFFFAOYSA-N, MFCD22741607, AKOS025289751, ZINC113083939, FCH2895455, KS-000005J5, AC-28740, AS-51745, SY232339, CS-0051716, FT-0731417, MFCD22741607 (95%), 4-Oxo-3-(phenylmethoxy)-4H-pyran-2-carboxylic acid, 4-oxo-3-[(phenylmethyl)oxy]-4h-pyran-2-carboxylic acid,

Complexity	402
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.053g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.218g/mol
Monoisotopic Mass	246.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

Lot Number