AG00AOL5

169309-80-2 | cis-2-tert-Butyl-2-butenedinitrile

AG00AOL5

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CAS Number	169309-80-2
Catalog Number	AG00AOL5(AGN-PC-0O4SIP)
Chemical Name	cis-2-tert-Butyl-2-butenedinitrile
IUPAC Name	(Z)-2-tert-butylbut-2-enedinitrile
InChI	InChI=1S/C8H10N2/c1-8(2,3)7(6-10)4-5-9/h4H,1-3H3/b7-4+
InChI Key	WGGPUYXDGYTCJX-QPJJXVBHSA-N
MDL Number	MFCD12405597
Molecular Formula	C8H10N2
Molecular Weight	134.1784
SMILES	N#C/C(C(C)(C)C)=C\\C#N
Synonyms	169309-80-2, cis-2-(tert-Butyl)maleonitrile, CIS-2-TERT-BUTYL-2-BUTENEDINITRILE, 2-(tert-Butyl)maleonitrile, t-butylmaleonitrile, PubChem13745, 2-tert-Butylmaleonitrile, SCHEMBL5691098, (Z)-2-tert-Butylbut-2-enedinitrile, 8668AA, MFCD12405597, ZINC34370408, AKOS015909707, RP17961, AJ-88203, AX8212605, CS-0060868, ST24024696, 309B802, J-506618, I14-32743, C8H10N2,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	134.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	134.182g/mol
Monoisotopic Mass	134.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2810

Certificate of Analysis

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