Quinolin-4-ylmethanol

CAT: 0127-OR932181-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR932181-01Size:100 mg

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CAS Number

6281-32-9

MDL Number

MFCD01006059

Purity

98%

Smiles

OCc1ccnc2ccccc12

Chemical Information

4-(Hydroxymethyl)quinoline

4-Hydroxymethylquinoline is a member of quinolines and an aromatic alcohol.

CAS Number	6281-32-9
PubChem CID	80479
IUPAC Name	quinolin-4-ylmethanol
Molecular Formula	C10H9NO
Molecular Weight	159.18
XLogP	1.4
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=C2C(=C1)C(=CC=N2)CO

InChI

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

InChIKey

KXYNLLGPBDUAHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6281-32-9

CID: 80479

Formula: C10H9NO

MW: 159.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.18
XLogP3	1.4
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
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OR930101-01	Pyridazin-4-ylmethanol
OR916865	Quinoxalin-6-ylmethanol
OR73902-01	Quinoxalin-2-ylmethanol
OR1038413-01	Pyridin-4-ylmethanol hydrobromide
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