2-Cyano-5-hydroxybenzoic acid

CAT: 0127-OR51346Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR51346Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1243372-21-5

MDL Number

MFCD16999187

Purity

=95%

Smiles

OC(=O)c1cc(O)ccc1C#N

Chemical Information

2-Cyano-5-hydroxybenzoic acid

CAS Number	1243372-21-5
PubChem CID	72225856
IUPAC Name	2-cyano-5-hydroxybenzoic acid
Molecular Formula	C8H5NO3
Molecular Weight	163.13
XLogP	1.2
Topological Polar Surface Area	81.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	230

SMILES

C1=CC(=C(C=C1O)C(=O)O)C#N

InChI

InChI=1S/C8H5NO3/c9-4-5-1-2-6(10)3-7(5)8(11)12/h1-3,10H,(H,11,12)

InChIKey

DMVFIDKLSDGDAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1243372-21-5

CID: 72225856

Formula: C8H5NO3

MW: 163.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.13
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	163.026943022
Monoisotopic Mass	163.026943022
Topological Polar Surface Area	81.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	230
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
OR400616-01	5-Cyano-2-hydroxybenzoic acid
OR51349-01	3-Cyano-5-hydroxybenzoic acid
OR51345	2-Cyano-4-hydroxybenzoic acid
OR51348-01	3-Cyano-2-hydroxybenzoic acid
OR400408	4-Cyano-2-hydroxybenzoic acid
OR51347	2-Cyano-6-hydroxybenzoic acid
OR51344-01	2-Cyano-3-hydroxybenzoic acid
OR51350-01	4-Cyano-3-hydroxybenzoic acid
OR13998-01	3-Cyano-4-hydroxybenzoic acid
PC104053	4-Cyano-3-fluoro-2-hydroxybenzoic acid

Catalog	Name
KAA43557-01	5-Cyano-2-hydroxybenzoic acid
NWB14157-01	3-Cyano-5-hydroxybenzoic acid
XCA81793-01	4-Amino-5-cyano-2-hydroxybenzoic acid
EAA69171-01	4-Cyano-2-hydroxybenzoic acid
VIA54203-01	4-Cyano-3-hydroxybenzoic acid
A22672-01	2-Amino-5-hydroxybenzoic acid
BAA85523-01	5-Cyclohexyl-2-hydroxybenzoic acid
AAA05127-01	5-Ethyl-2-hydroxybenzoic acid
230165-01	2-Chloro-5-hydroxybenzoic acid
TRC-B594193-10MG	5-(Benzyloxy)-2-Hydroxybenzoic Acid