2-Methylindole-3-carboxaldehyde

CAT: 0024-sc-256201Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-256201Size:25 g

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CAS Number

5416-80-8

Chemical Information

3-Formyl-2-methylindole

CAS Number	5416-80-8
PubChem CID	73166
IUPAC Name	2-methyl-1H-indole-3-carbaldehyde
Molecular Formula	C10H9NO
Molecular Weight	159.18
XLogP	1.9
Topological Polar Surface Area	32.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	181

SMILES

CC1=C(C2=CC=CC=C2N1)C=O

InChI

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

InChIKey

CYZIVXOEJNAIBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5416-80-8

CID: 73166

Formula: C10H9NO

MW: 159.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.18
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	159.068413911
Monoisotopic Mass	159.068413911
Topological Polar Surface Area	32.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181
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
sc-253941A	1-Methylindole-3-carboxaldehyde
sc-268306	6-Methylindole-3-carboxaldehyde
sc-224754	1-Methylindole-2-carboxaldehyde
sc-256939	5-Methylindole-3-carboxaldehyde
sc-280448A	4-Methylindole-3-carboxaldehyde
sc-280448	4-Methylindole-3-carboxaldehyde
sc-257012	7-Methylindole-3-carboxaldehyde
sc-253941	1-Methylindole-3-carboxaldehyde
sc-278231	5-Methoxy-1-methylindole-3-carboxaldehyde
sc-311196	5-Methoxy-4-methylindole-3-carboxaldehyde

Catalog	Name
OR94431-01	3-Methylindole-2-carboxaldehyde
284121-01	2-Methylindole-3-carboxaldehyde
FM33838-01	4-Methylindole-3-carboxaldehyde
281606-01	1-Methylindole-3-carboxaldehyde
283052-01	5-Methylindole-2-carboxaldehyde
OR1668-01	7-Methylindole-3-carboxaldehyde
OR1666-01	6-Methylindole-3-carboxaldehyde
OR1664	5-Methylindole-3-carboxaldehyde
161933	5-Methoxy-2-methylindole-3-carboxaldehyde
230580-01	2-Methylindole-3-carboxaldehyde 99+% (HPLC)