AG00385E

25263-44-9 | 3-Hydroxyphenylacetonitrile

AG00385E

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CAS Number	25263-44-9
Catalog Number	AG00385E(AGN-PC-00NYGN)
Chemical Name	3-Hydroxyphenylacetonitrile
IUPAC Name	2-(3-hydroxyphenyl)acetonitrile
InChI	InChI=1S/C8H7NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4H2
InChI Key	IEOUEWOHAFNQCO-UHFFFAOYSA-N
MDL Number	MFCD03265300
Molecular Formula	C8H7NO
Molecular Weight	133.1473
SMILES	OC=1C=C(C=CC1)CC#N
Synonyms	25263-44-9, 2-(3-HYDROXYPHENYL)ACETONITRILE, 3-HYDROXYPHENYLACETONITRILE, m-Hydroxy benzyl cyanide, Benzeneacetonitrile, 3-hydroxy-, (3-hydroxyphenyl)acetonitrile, 3-Hydroxy-Benzeneacetonitrile, IEOUEWOHAFNQCO-UHFFFAOYSA-N, 3-hydroxybenzyl cyanide, 3-Hydroxyphenyl acetonitrile, SCHEMBL1233598, CTK1A1526, DTXSID10549273, ZINC2507096, 5340AH, MFCD03265300, AKOS006279733, AB13855, MCULE-2129736163, NE27004, AC-10550, AK322782, J-015897, Z1860991923, C8H7NO,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	133.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	133.15g/mol
Monoisotopic Mass	133.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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