Quinolin-3-ylmethanol

CAT: 0127-OR94221-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR94221-01Size:250 mg

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CAS Number

13669-51-7

MDL Number

MFCD03412552

Purity

98%

Smiles

C1=CC=C2C(=C1)C=C(C=N2)CO

Chemical Information

(Quinolin-3-yl)methanol

CAS Number	13669-51-7
PubChem CID	12662983
IUPAC Name	quinolin-3-ylmethanol
Molecular Formula	C10H9NO
Molecular Weight	159.18
XLogP	1.3
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=C(C=N2)CO

InChI

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

InChIKey

FLGKQMOTLCGOQH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13669-51-7

CID: 12662983

Formula: C10H9NO

MW: 159.18

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	159.18
XLogP3	1.3
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