AG0037QV

152922-71-9 | 1-(Hydroxymethyl)cyclopropaneacetonitrile

AG0037QV

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CAS Number	152922-71-9
Catalog Number	AG0037QV(AGN-PC-0MWEZH)
Chemical Name	1-(Hydroxymethyl)cyclopropaneacetonitrile
IUPAC Name	2-[1-(hydroxymethyl)cyclopropyl]acetonitrile
InChI	InChI=1S/C6H9NO/c7-4-3-6(5-8)1-2-6/h8H,1-3,5H2
InChI Key	WYOMLUMUVAPMKE-UHFFFAOYSA-N
MDL Number	MFCD08235273
Molecular Formula	C6H9NO
Molecular Weight	111.1418
SMILES	OCC1(CC1)CC#N
Synonyms	152922-71-9, 1-(Hydroxymethyl)cyclopropaneacetonitrile, 2-(1-(Hydroxymethyl)cyclopropyl)acetonitrile, 2-[1-(hydroxymethyl)cyclopropyl]acetonitrile, (1-Hydroxymethyl-cyclopropyl)-acetonitrile, [1-(Hydroxymethyl)cyclopropyl]acetonitrile, Cyclopropaneacetonitrile, 1-(hydroxymethyl)-, 1-(Hydroxymethyl)cyclopropaneacetonitril, PubChem10345, SCHEMBL642970, Jsp002956, CTK8H0609, KS-00000ZDW, DTXSID90433348, WYOMLUMUVAPMKE-UHFFFAOYSA-N, BCP12563, EBD45011, 1-Hydroxymethylcyclopropylacetonitrile, CH-020, MFCD08235273, SBB056220, ZINC16125367, AKOS013154494, AC-1173, AM84486, AN-6798, RP19021, (1-hydroxymethylcyclopropyl)acetonitrile, [1-(Cyanomethyl)cycloprop-1-yl]methanol, 1-(Hydroxymethyl)cyclopropyl acetonitrile, AJ-68440, BC200534, R234, SC-35800, TS-01430, 2-[(hydroxymethyl)cyclopropyl]ethanenitrile, AB0018064, ST2403784, TL8001135, 4CH-019242, FT-0659853, 1-(Cyanomethyl)-1-(hydroxymethyl)cyclopropane, EN300-92089, 2-[1-(hydroxymethyl)-cyclopropyl]-acetonitrile, M-3602, 922H719, J-503557, 1-(hydroxymethyl)cyclopropaneacetonitrile, AldrichCPR, C6H9NO, 1-(Hydroxymethyl)cyclopropane acetonitrile, CID9964076, 1,3-Cyclobutanedione bis(dimethyl acetal), A3357,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	111.144g/mol
Monoisotopic Mass	111.068g/mol
Rotatable Bond Count	2
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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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