ethyl 3-(hydroxymethyl)-1H-indole-2-carboxylate

ethyl 3-(hydroxymethyl)-1H-indole-2-carboxylate

CAS: 666752-02-9

Formula: C12H13NO3

SMILES: CCOC(=O)C1=C(CO)C2=CC=CC=C2N1

IUPAC: ethyl 3-(hydroxymethyl)-1H-indole-2-carboxylate

InChI: InChI=1S/C12H13NO3/c1-2-16-12(15)11-9(7-14)8-5-3-4-6-10(8)13-11/h3-6,13-14H,2,7H2,1H3

Composition: C (65.74%), H (5.98%), N (6.39%), O (21.89%)

Molar Mass: 219.24

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	219.089543283
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ZILCHYCJPHYDHP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.61
Topological Polar Surface Area	62.32
Polarizability	24.26
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	666752-02-9		$51.35-$539.70$51.35$63.37$86.31$113.62$180.26$539.70