AG000V4F

13093-65-7 | Benzeneacetonitrile, α,4-dihydroxy-

AG000V4F

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CAS Number	13093-65-7
Catalog Number	AG000V4F(AGN-PC-0PJDL5)
Chemical Name	Benzeneacetonitrile, α,4-dihydroxy-
IUPAC Name	2-hydroxy-2-(4-hydroxyphenyl)acetonitrile
InChI	InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H
InChI Key	HOOOPXDSCKBLFG-UHFFFAOYSA-N
MDL Number	MFCD00056685
Molecular Formula	C8H7NO2
Molecular Weight	149.1467
SMILES	OC(C1=CC=C(O)C=C1)C#N
Synonyms	4-hydroxymandelonitrile, 4-hydroxymandelonitrile, (DL)-isomer, para-hydroxymandelonitrile, 4-Hydroxymandelonitrile, 2-hydroxy-2-(4-hydroxyphenyl)acetonitrile, para-Hydroxymandelonitrile, DL-4-Hydroxymandelonitrile, 13093-65-7, p-hydroxymandelonitrile, alpha,4-Dihydroxybenzeneacetonitrile, 4-hydroxybenzaldehyde cyanonhydrin, hydroxy(4-hydroxyphenyl)acetonitrile, 6851-36-1, AC1Q4QUK, AC1L4YN5, SCHEMBL467691, CHEBI:18115, HOOOPXDSCKBLFG-UHFFFAOYSA-N, MFCD00056685, AKOS009158891, DL-alpha,4-Dihydroxyphenylacetonitrile, FT-0693818, C00650, Hydroxy(4-hydroxyphenyl)acetonitrile, AldrichCPR, AR-1K9690, CID166768, H0563, 71974-07-7,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.048g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	149.149g/mol
Monoisotopic Mass	149.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number