AG0012SP

1370705-39-7 | Bicyclo[1.1.1]pentane-1-carbonitrile, 3-(hydroxymethyl)-

AG0012SP

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CAS Number	1370705-39-7
Catalog Number	AG0012SP(AGN-PC-0WBSED)
Chemical Name	Bicyclo[1.1.1]pentane-1-carbonitrile, 3-(hydroxymethyl)-
IUPAC Name	3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carbonitrile
InChI	InChI=1S/C7H9NO/c8-4-6-1-7(2-6,3-6)5-9/h9H,1-3,5H2
InChI Key	ICMZHMYZIPFSKI-UHFFFAOYSA-N
MDL Number	MFCD27664953
Molecular Formula	C7H9NO
Molecular Weight	123.1525
SMILES	N#CC1(C2)CC2(CO)C1
Synonyms	3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carbonitrile, 1370705-39-7, 3-(Hydroxymethyl)bicyclo-[1.1.1]pentane-1-carbonitrile, SCHEMBL17785551, MFCD27664953, AKOS025290964, ZINC200299549, FCH2492836, GS-8013, SB11722, KS-000004H1, AK170991, OR312131, CS-0051684, 1-(hydroxymethyl)bicyclo[1.1.1]pentane-3-carbonitrile, Bicyclo[1.1.1]pentane-1-carbonitrile, 3-(hydroxymethyl)-,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	123.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	123.155g/mol
Monoisotopic Mass	123.068g/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	H302-H315-H335-H319
Packing Group
Precautionary statements	P280-P271-P260
UN Code

Certificate of Analysis

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