AG00AM06

19295-57-9 | 3-Hydroxy-2,2-dimethylpropanenitrile

AG00AM06

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CAS Number	19295-57-9
Catalog Number	AG00AM06(AGN-PC-00MXTE)
Chemical Name	3-Hydroxy-2,2-dimethylpropanenitrile
IUPAC Name	3-hydroxy-2,2-dimethylpropanenitrile
InChI	InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3
InChI Key	WWXFHHXOVMQARV-UHFFFAOYSA-N
MDL Number	MFCD12028479
Molecular Formula	C5H9NO
Molecular Weight	99.1311
SMILES	N#CC(C)(C)CO
Synonyms	3-hydroxy-2,2-dimethylpropanenitrile, 19295-57-9, CTK8A1339, DTXSID50543119, WWXFHHXOVMQARV-UHFFFAOYSA-N, 3-Hydroxy-2,2-dimethylpropanitrile, ALBB-010180, 0005AB, 3-Hydroxy-2,2-dimethylpropionitrile, ANW-72981, MFCD12028479, STK506274, ZINC34080223, AKOS005172394, CS-W018923, MCULE-3713618417, AJ-86834, AK109218, Propanenitrile, 3-hydroxy-2,2-dimethyl-, DB-065803, TR-061628, BB 0254225, FT-0750093, T2662, C5H9NO,

Complexity	97.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	99.068g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	99.133g/mol
Monoisotopic Mass	99.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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