AG00DHUM

437383-99-8 | 4-(Pyridin-3-yloxy)benzoic acid

AG00DHUM

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CAS Number	437383-99-8
Catalog Number	AG00DHUM(AGN-PC-03MZN0)
Chemical Name	4-(Pyridin-3-yloxy)benzoic acid
IUPAC Name	4-pyridin-3-yloxybenzoic acid
InChI	InChI=1S/C12H9NO3/c14-12(15)9-3-5-10(6-4-9)16-11-2-1-7-13-8-11/h1-8H,(H,14,15)
InChI Key	JZHQITAPTQQMIF-UHFFFAOYSA-N
MDL Number	MFCD11182951
Molecular Formula	C12H9NO3
Molecular Weight	215.2048
SMILES	N1=CC(=CC=C1)OC2=CC=C(C(=O)O)C=C2
Synonyms	4-(pyridin-3-yloxy)benzoic acid, 437383-99-8, AC1Q73FV, 4-(3-pyridyloxy)benzoic acid, SCHEMBL4318678, 4-(3-pyridinyloxy)Benzoic acid, CTK7I8071, DTXSID50624033, JZHQITAPTQQMIF-UHFFFAOYSA-N, 4-(pyridin-3-yloxy) benzoic acid, 4-[(Pyridin-3-yl)oxy]benzoic acid, ANW-49748, CP-876, MFCD11182951, ZINC36904276, AKOS009333120, MCULE-6222437910, AJ-93424, AK-38567, AS-33250, BR-38567, AB0024925, DB-070462, TC-138493, 4CH-008899, FT-0722469, ST24028832, W6289, EN300-54901, S-4514, C12H9NO3, 4-(Pyridin-3-yloxy)benzoicacid,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.058g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.208g/mol
Monoisotopic Mass	215.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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