(Isoquinolin-7-yl) methanol

CAT: 0127-OR300051Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR300051Size:100 mg

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CAS Number

158654-76-3

MDL Number

MFCD11226917

Purity

95%

Smiles

OCc1ccc2ccncc2c1

Chemical Information

Isoquinolin-7-ylmethanol

CAS Number	158654-76-3
PubChem CID	12018710
IUPAC Name	isoquinolin-7-ylmethanol
Molecular Formula	C10H9NO
Molecular Weight	159.18
XLogP	1.2
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	149

SMILES

C1=CC(=CC2=C1C=CN=C2)CO

InChI

InChI=1S/C10H9NO/c12-7-8-1-2-9-3-4-11-6-10(9)5-8/h1-6,12H,7H2

InChIKey

VLONTUPZTAEOIH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 158654-76-3

CID: 12018710

Formula: C10H9NO

MW: 159.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.18
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	159.068413911
Monoisotopic Mass	159.068413911
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149
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
OR300043	(Isoquinolin-7-yl) methanamine
OR1046756-01	1- (Isoquinolin-7-yl) ethanone
OR1033395-01	(Quinolin-7-yl) methanol
OR307630	(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl) -methanol
OR307631-01	(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-3-yl) -methanol hydrochloride
OR1055931	(3-Chloroisoquinolin-7-yl) methanol
OR81628-01	(7-Methoxynaphthalen-2-yl) methanol
OR1056632-01	(7-Bromoquinolin-3-yl) methanol
OR1032831-01	(1-Aminoisoquinolin-7-yl) methanol
OR1040872-01	(1-Chloroisoquinolin-7-yl) methanol

Catalog	Name
sc-291432A	(6,7-Diethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl) -methanol
sc-291444A	(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl) -methanol
sc-291445	(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-3-yl) -methanol hydrochloride
JDA16380-01	(7-Chloroquinolin-8-yl) methanol
QGA11136-01	(7-Chloroquinolin-2-yl) methanol
VXC68750	(3-Chloroisoquinolin-7-yl) methanol
TYD-03880-01	(2-Phenylquinolin-7-yl) methanol
FAA66520-01	(7-Methoxynaphthalen-2-yl) methanol
CAB52719-01	(7-Bromonaphthalen-2-yl) methanol
MBA70779-01	(6,7-Dimethoxynaphthalen-2-yl) methanol