AG00C8CC

40888-26-4 | 2-ETHYNYL-BENZONITRILE

AG00C8CC

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CAS Number	40888-26-4
Catalog Number	AG00C8CC(AGN-PC-0NG5DC)
Chemical Name	2-ETHYNYL-BENZONITRILE
IUPAC Name	2-ethynylbenzonitrile
InChI	InChI=1S/C9H5N/c1-2-8-5-3-4-6-9(8)7-10/h1,3-6H
InChI Key	LZSDQLUEGYXDCW-UHFFFAOYSA-N
MDL Number	MFCD08703475
Molecular Formula	C9H5N
Molecular Weight	127.1427
SMILES	N#CC1=CC=CC=C1C#C
Synonyms	2-ethynylbenzonitrile, 40888-26-4, 2-ETHYNYL-BENZONITRILE, 2-Cyanophenylacetylene, o-cyanophenylacetylene, Benzonitrile, 2-ethynyl-, SCHEMBL1803188, CTK8F4255, DTXSID70455664, LZSDQLUEGYXDCW-UHFFFAOYSA-N, 2-ethynyl-benzonitrile, AldrichCPR, KS-00002A2W, MFCD08703475, ZINC15022009, AKOS006220654, PS-3986, CID11116074,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.042g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.146g/mol
Monoisotopic Mass	127.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number