5-Methylindole-3-carboxaldehyde

CAT: 0127-OR1664Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1664Size:250 mg

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CAS Number

52562-50-2

MDL Number

MFCD00022720

Purity

98%

Smiles

Cc1ccc2[nH]cc(C=O)c2c1

Chemical Information

5-Methylindole-3-carboxaldehyde

CAS Number	52562-50-2
PubChem CID	259187
IUPAC Name	5-methyl-1H-indole-3-carbaldehyde
Molecular Formula	C10H9NO
Molecular Weight	159.18
XLogP	2
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=CC2=C(C=C1)NC=C2C=O

InChI

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

InChIKey

ZTNQWTPWKNDRNF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52562-50-2

CID: 259187

Formula: C10H9NO

MW: 159.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.18
XLogP3	2
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
OR938673-01	5-Methoxy-4-methylindole-3-carboxaldehyde
OR94431-01	3-Methylindole-2-carboxaldehyde
OR1668-01	7-Methylindole-3-carboxaldehyde
OR1666-01	6-Methylindole-3-carboxaldehyde
OR1667	7-Methylindole-3-carboxaldehyde, N-BOC protected
OR1665	6-Methylindole-3-carboxaldehyde, N-BOC protected
OR940620-01	5-Hydroxy-3-methylindole
OR14889	1-Methylindoline-5-carboxaldehyde
OR912084-01	5-Methylindole-3-acetic acid
OR10200-01	3-Methylindole

Catalog	Name
sc-256939	5-Methylindole-3-carboxaldehyde
283052-01	5-Methylindole-2-carboxaldehyde
234327-01	5-Methylindole-3-carboxaldehyde 98+% (HPLC)
161933	5-Methoxy-2-methylindole-3-carboxaldehyde
sc-278231	5-Methoxy-1-methylindole-3-carboxaldehyde
FM33838-01	4-Methylindole-3-carboxaldehyde
281606-01	1-Methylindole-3-carboxaldehyde
sc-268306	6-Methylindole-3-carboxaldehyde
sc-311196	5-Methoxy-4-methylindole-3-carboxaldehyde
M-4044-01	7-Methylindole-3-carboxaldehyde