Name: methyl 6-methyl-1H-indole-5-carboxylate
Brand: DempoChem
Price: POA USD
Availability: MadeToOrder

CAS No.

672293-36-6

MDL No.

N/A

C₁₁H₁₁NO₂

189.21

InChI Key

AIYRMQQLNWIHRE-UHFFFAOYSA-N

PilotCapacity

98%+Purity

ReadyProduction Status

10 Mar 2025Updated

* This information does not mean that the product will necessarily be commercially available. Please check with our support team for commercial availability of this product. You may read more about this at terms & conditions.

Identifiers

Canonical SMILES	CC1=CC2=C(C=CN2)C=C1C(=O)OC
Isomeric SMILES	CC1=CC2=C(C=CN2)C=C1C(=O)OC
IUPAC Name	methyl 6-methyl-1H-indole-5-carboxylate
InChI	InChI=1S/C11H11NO2/c1-7-5-10-8(3-4-12-10)6-9(7)11(13)14-2/h3-6,12H,1-2H3
InChI Key	AIYRMQQLNWIHRE-UHFFFAOYSA-N

Computational Chemistry

Heavy Atom Count	14	Rotatable Bond Count	1
Atom Stereo Count	0	Bond Stereo Count	0
HBA	2	HBD	1
TPSA	42.090 Å²	Charge	0
Exact Mass	189.07898	Complexity	484.99
pKa	5.875	XLogP	2.263

Regulatory Information

Regulation	Name on File	Countries	Source
No record for this product on our list currently.

* Information is for reference only. Please verify all details and regulations through official and authoritative channels.