2- (Hydroxymethyl) -1-methylindole

CAT: 0127-OR93831-04Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR93831-04Size:25 g

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CAS Number

1485-22-9

MDL Number

MFCD04114774

Purity

97%

Smiles

OCC(N1C)=CC2=C1C=CC=C2

Chemical Information

(1-methyl-1H-indol-2-yl)methanol

CAS Number	1485-22-9
PubChem CID	295652
IUPAC Name	(1-methylindol-2-yl)methanol
Molecular Formula	C10H11NO
Molecular Weight	161.20
XLogP	1.6
Topological Polar Surface Area	25.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

CN1C2=CC=CC=C2C=C1CO

InChI

InChI=1S/C10H11NO/c1-11-9(7-12)6-8-4-2-3-5-10(8)11/h2-6,12H,7H2,1H3

InChIKey

PJNHWHPOWRDOGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1485-22-9

CID: 295652

Formula: C10H11NO

MW: 161.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.20
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	161.084063974
Monoisotopic Mass	161.084063974
Topological Polar Surface Area	25.2 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

Catalog	Name
OR913042-01	1-Butyl-2-methylindole
OR939729-01	1-Ethyl-2-methylindole
OR303144	6-Bromo-1-methylindole-2-carbaldehyde
OR94431-01	3-Methylindole-2-carboxaldehyde
OR920082-01	2-Methylindole-4-carbonitrile
OR1024141-01	2-Methylindole-6-Carbonitrile
OR912676-01	3-Cyano-2-methylindole
OR301137-01	4-Hydroxy-2-methylindole
BIB6067-01	5-Hydroxy-2-methylindole
BIB6015	5-Bromo-2-methylindole

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