AG00ECKK

6336-59-0 | 3-(2-Nitrophenoxy)propanoic acid

AG00ECKK

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CAS Number	6336-59-0
Catalog Number	AG00ECKK(AGN-PC-0JOCRG)
Chemical Name	3-(2-Nitrophenoxy)propanoic acid
IUPAC Name	3-(2-nitrophenoxy)propanoic acid
InChI	InChI=1S/C9H9NO5/c11-9(12)5-6-15-8-4-2-1-3-7(8)10(13)14/h1-4H,5-6H2,(H,11,12)
InChI Key	AKIYJDFJPJUROC-UHFFFAOYSA-N
MDL Number	MFCD09045698
Molecular Formula	C9H9NO5
Molecular Weight	211.1715
NSC Number	38949
SMILES	OC(CCOC1=C([N+]([O-])=O)C=CC=C1)=O
Synonyms	3-(2-nitrophenoxy)propanoic acid, 6336-59-0, 3-(2-NITROPHENOXY)PROPIONIC ACID, NSC38949, PubChem19210, AC1L5WLO, AC1Q207A, AC1Q75P6, SCHEMBL4867096, 3-(2-Nitrophenoxy)propionicAcid, CTK2F7518, DTXSID10284778, KS-00000CL6, ZINC1671005, 5621AJ, MFCD09045698, NSC-38949, AKOS000129715, MCULE-1516287091, NE31193, AJ-29194, CS-11184, SY008328, DB-073315, TC-256651, FT-0701602, EN300-42810, MFCD09045698 (95%), Z224635790, C9H9NO5, AR-1E6388, CID236434, 71794-60-0,

Complexity	237
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	4
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number