2-Methylquinolin-6-ol

CAT: 0926-AAA61321Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-AAA61321Size:2.5 g

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CAS Number

613-21-8

MDL Number

MFCD00047600

Smiles

CC1=NC2=C (C=C1) C=C (C=C2) O

Molecular Formula

C10H9NO

Molecular Weight

159.18 g/mol

Controlled

Chemical Information

6-Hydroxy-2-methylquinoline

CAS Number	613-21-8
PubChem CID	594395
IUPAC Name	2-methylquinolin-6-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=NC2=C(C=C1)C=C(C=C2)O

InChI

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

InChIKey

USSQQASIZNTRAJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 613-21-8

CID: 594395

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