5-Hydroxyisoquinoline

CAT: 0926-FH24373-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FH24373-01Size:25 g

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

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CAS Number

2439-04-5

Synonyms

5-Isoquinolinol; NSC 51787

MDL Number

MFCD00006906

Smiles

Oc1cccc2cnccc12

Molecular Formula

C9H7NO

Molecular Weight

145.16 g/mol

Controlled

Chemical Information

Isoquinolin-5-ol

CAS Number	2439-04-5
PubChem CID	30386
IUPAC Name	isoquinolin-5-ol
Molecular Formula	C9H7NO
Molecular Weight	145.16
XLogP	1.7
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

C1=CC2=C(C=CN=C2)C(=C1)O

InChI

InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H

InChIKey

CSNXUYRHPXGSJD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2439-04-5

CID: 30386

Formula: C9H7NO

MW: 145.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.16
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	145.052763847
Monoisotopic Mass	145.052763847
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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
FH42371-01	6-Hydroxyisoquinoline
FH24372-01	1-Hydroxyisoquinoline
FH09373-01	3-Hydroxyisoquinoline
MDC88130-01	3-Hydroxyisoquinoline-8-carboxylic acid
XAA08018-01	4-Hydroxyisoquinoline-3-carboxylic acid
BCC21460-01	1-Hydroxyisoquinoline-6-carboxylic acid
IUB14690-01	Methyl 4-hydroxyisoquinoline-3-carboxylate
YWC02182-01	Pb-22 8-hydroxyisoquinoline isomer
FH24374-01	2-Hydroxyisoquinoline-1,3 (2H,4H) -dione
HYB44816-01	1-Hydroxyisoquinoline-7-boronic acid pinacol ester

Catalog	Name
HY-W004721-01	5-Hydroxyisoquinoline
sc-506532	1-Hydroxyisoquinoline-5-carbonitrile
OR300065-01	5-Bromo-3-hydroxyisoquinoline
OR43637	5-Amino-3-hydroxyisoquinoline
OR1056025-01	Methyl 5-hydroxyisoquinoline-4-carboxylate
OR1061951-01	5-Hydroxyisoquinoline-4-carboxylic acid
sc-254490	3-Hydroxyisoquinoline
OR8561-01	8-Hydroxyisoquinoline
sc-220469	1-Hydroxyisoquinoline
61532966	4-Hydroxyisoquinoline