AG01AIA9

2427-16-9 | 5-Hydroxypentanenitrile

AG01AIA9

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CAS Number	2427-16-9
Catalog Number	AG01AIA9(AGN-PC-0NCA3M)
Chemical Name	5-Hydroxypentanenitrile
IUPAC Name	5-hydroxypentanenitrile
InChI	InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h7H,1-3,5H2
InChI Key	ISCJLIJIOFOWTR-UHFFFAOYSA-N
MDL Number	MFCD09746052
Molecular Formula	C5H9NO
Molecular Weight	99.1311
SMILES	N#CCCCCO
Synonyms	5-hydroxypentanenitrile, 2427-16-9, 74066-94-7, 5-hydroxy-pentanenitrile, Butylencyanhydrin, 4-Cyanobutanol, ISCJLIJIOFOWTR-UHFFFAOYSA-N, ZINC36757560, AKOS008135355, CS-W001265, MCULE-4289736283, A275, SC-14232, EN300-77170, W-4230, CID10887840, 2944-49-2,

Complexity	71.4
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	3
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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