AG001OOF

156329-62-3 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-, methyl ester

AG001OOF

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CAS Number	156329-62-3
Catalog Number	AG001OOF(AGN-PC-0Q722B)
Chemical Name	Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-, methyl ester
IUPAC Name	methyl 3-cyanobicyclo[1.1.1]pentane-1-carboxylate
InChI	InChI=1S/C8H9NO2/c1-11-6(10)8-2-7(3-8,4-8)5-9/h2-4H2,1H3
InChI Key	WHDZIHLWBZWJMI-UHFFFAOYSA-N
MDL Number	MFCD27664945
Molecular Formula	C8H9NO2
Molecular Weight	151.1626
SMILES	O=C(C1(C2)CC2(C#N)C1)OC
Synonyms	Methyl 3-cyanobicyclo[1.1.1]pentane-1-carboxylate, 156329-62-3, MFCD27664945, ZINC38759665, Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-, methyl ester (9CI), FCH2491659, GS-8010, SB11720, KS-000004H0, AK170990, OR312124, CS-0039054, Methyl 3-cyanobicyclo[1.1.1]pentane-1-carboxylate, AldrichCPR, Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-cyano-, methyl ester, CID10396996,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	151.165g/mol
Monoisotopic Mass	151.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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