AG019EPY

13305-09-4 | Methyl 2-hydroxy-2-(4-nitrophenyl)acetate

AG019EPY

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CAS Number	13305-09-4
Catalog Number	AG019EPY(AGN-PC-0PJVD8)
Chemical Name	Methyl 2-hydroxy-2-(4-nitrophenyl)acetate
IUPAC Name	methyl 2-hydroxy-2-(4-nitrophenyl)acetate
InChI	InChI=1S/C9H9NO5/c1-15-9(12)8(11)6-2-4-7(5-3-6)10(13)14/h2-5,8,11H,1H3
InChI Key	DBINCHWBEBHLEN-UHFFFAOYSA-N
MDL Number	MFCD29919631
Molecular Formula	C9H9NO5
Molecular Weight	211.1715
SMILES	OC(C(=O)OC)C1=CC=C(C=C1)[N+](=O)[O-]
Synonyms	methyl 2-hydroxy-2-(4-nitrophenyl)acetate, 13305-09-4, SCHEMBL2614715, DBINCHWBEBHLEN-UHFFFAOYSA-N, methoxycarbonyl-4-nitrobenzyl alcohol, CS-0062208, (4-Nitrophenyl)hydroxyacetic acid methyl ester,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.048g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.173g/mol
Monoisotopic Mass	211.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

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