5-Methylquinolin-3-ol

CAT: 0127-OR1059365-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1059365-01Size:100 mg

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CAS Number

1261490-65-6

MDL Number

MFCD18414790

Purity

98%

Smiles

OC1=CC2=C(C)C=CC=C2N=C1

Chemical Information

5-Methylquinolin-3-ol

CAS Number	1261490-65-6
PubChem CID	69482315
IUPAC Name	5-methylquinolin-3-ol
Molecular Formula	C10H9NO
Molecular Weight	159.18
XLogP	2.2
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

CC1=C2C=C(C=NC2=CC=C1)O

InChI

InChI=1S/C10H9NO/c1-7-3-2-4-10-9(7)5-8(12)6-11-10/h2-6,12H,1H3

InChIKey

ZKNISBMWFKUBKI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261490-65-6

CID: 69482315

Formula: C10H9NO

MW: 159.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.18
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	159.068413911
Monoisotopic Mass	159.068413911
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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