2-Hydroxy-5-methoxy-benzonitrile

CAT: 0024-sc-283171Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-283171Size:1 g

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CAS Number

39835-11-5

Chemical Information

2-Hydroxy-4-methoxybenzonitrile

CAS Number	39835-11-5
PubChem CID	11423680
IUPAC Name	2-hydroxy-4-methoxybenzonitrile
Molecular Formula	C8H7NO2
Molecular Weight	149.15
XLogP	1.8
Topological Polar Surface Area	53.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	172

SMILES

COC1=CC(=C(C=C1)C#N)O

InChI

InChI=1S/C8H7NO2/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4,10H,1H3

InChIKey

FDRYADKKCJHYJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39835-11-5

CID: 11423680

Formula: C8H7NO2

MW: 149.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	149.15
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	149.047678466
Monoisotopic Mass	149.047678466
Topological Polar Surface Area	53.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	172
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-321597	2-Bromo-4-hydroxy-5-methoxy-benzonitrile
sc-265765	2-Methoxy-5- (trifluoromethyl) benzonitrile
sc-274960	2-Methoxy-5- (trifluoromethoxy) benzonitrile
sc-265725	2-Hydroxy-5-iodo-benzonitrile
sc-274877	2-Hydroxy-5- (trifluoromethoxy) benzonitrile
sc-356748	3-Methoxy-5- (trifluoromethyl) benzonitrile
sc-315285	4-[ (5-Formyl-2-furyl) methoxy]benzonitrile
sc-298482A	2-Methoxy-4- (trifluoromethoxy) benzonitrile
sc-283009A	2-Chloro-4-methoxy-benzonitrile
sc-262039	4-Methoxy-2- (trifluoromethyl) benzonitrile

Catalog	Name
PBA90063	2-Hydroxy-5-methoxy-benzonitrile
OR345595-01	3-Hydroxy-4-methoxy benzonitrile
PC28020-01	5-Methoxy-2- (trifluoromethyl) benzonitrile
OR81920	5-Methoxy-2- (methylsulfonyl) benzonitrile
PC302812-01	2-Methoxy-5- (pentafluorosulfur) benzonitrile
PC302176-01	2-Methoxy-5- (trifluoromethoxy) benzonitrile
PC302031-01	2-Methoxy-5- (trifluoromethyl) benzonitrile
JH918151	Benzonitrile, 2-fluoro-4-hydroxy-6-methoxy-
PC56071	2-Hydroxy-5- (trifluoromethoxy) benzonitrile
GEB00249-01	5-Hydroxy-2- (trifluoromethyl) benzonitrile