AG002H76

188717-04-6 | D-Glucuronic acid, 2-propen-1-yl ester

AG002H76

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CAS Number	188717-04-6
Catalog Number	AG002H76(AGN-PC-0O5TSW)
Chemical Name	D-Glucuronic acid, 2-propen-1-yl ester
IUPAC Name	prop-2-enyl (3S,4S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
InChI	InChI=1S/C9H14O7/c1-2-3-15-9(14)7-5(11)4(10)6(12)8(13)16-7/h2,4-8,10-13H,1,3H2/t4-,5-,6?,7?,8?/m0/s1
InChI Key	HYPHSXHTCHCXAT-VOICCNKESA-N
MDL Number	MFCD09750691
Molecular Formula	C9H14O7
Molecular Weight	234.2033
SMILES	O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)OCC=C
Synonyms	Allyl D-Glucuronate, 188717-04-6, CTK8E6910, DTXSID50675545, D-Glucuronic Acid 2-Propenyl Ester, AKOS025294795, Prop-2-en-1-yl D-threo-hexopyranuronate, RT-011242, FT-0661511, D-Glucopyranuronic Acid 2-Propen-1-yl Ester,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	234.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	234.204g/mol
Monoisotopic Mass	234.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	-1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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