AG00CLFP

38070-80-3 | 3,4-bis-(hydroxyMethyl)-pyridine

AG00CLFP

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CAS Number	38070-80-3
Catalog Number	AG00CLFP(AGN-PC-0BSZTV)
Chemical Name	3,4-bis-(hydroxyMethyl)-pyridine
IUPAC Name	[3-(hydroxymethyl)pyridin-4-yl]methanol
InChI	InChI=1S/C7H9NO2/c9-4-6-1-2-8-3-7(6)5-10/h1-3,9-10H,4-5H2
InChI Key	UOBHUUYYDVWYLI-UHFFFAOYSA-N
MDL Number	MFCD00160202
Molecular Formula	C7H9NO2
Molecular Weight	139.1519
SMILES	OCC1=C(CO)C=CN=C1
Synonyms	Pyridine-3,4-diyldimethanol, 38070-80-3, [4-(hydroxymethyl)pyridin-3-yl]methanol, 3,4-Pyridinedimethanol, PYRIDINE-3,4-DIMETHANOL, AK171924, SCHEMBL6249306, KS-00000SZF, 3,4-bis-(hydroxyMethyl)-pyridine, MFCD00160202, ZINC81914896, AKOS025291338, DS-7666, FCH1414827, SB22093, AB0071928, CS-0052986, Q-4968, ACN-040533,

Complexity	97.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.063g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	139.154g/mol
Monoisotopic Mass	139.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

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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