Name: Name:1H-Indole-3-carboxylic acid, 1-(2-methoxyethyl)-
Brand: Angene
SKU: AG0021K7
Rating: 90 (10 reviews)

1H-Indole-3-carboxylic acid, 1-(2-methoxyethyl)-

CAS No.:

179993-05-6

Catalog Number:

AG0021K7

Molecular Formula:

C12H13NO3

Molecular Weight:

219.2365

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Product Description

Catalog Number:

AG0021K7

Chemical Name:

1H-Indole-3-carboxylic acid, 1-(2-methoxyethyl)-

CAS Number:

179993-05-6

Molecular Formula:

C12H13NO3

Molecular Weight:

219.2365

MDL Number:

MFCD07400598

IUPAC Name:

1-(2-methoxyethyl)indole-3-carboxylic acid

InChI:

InChI=1S/C12H13NO3/c1-16-7-6-13-8-10(12(14)15)9-4-2-3-5-11(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)

InChI Key:

FXSBCLSDWGBWQY-UHFFFAOYSA-N

SMILES:

COCCn1cc(c2c1cccc2)C(=O)O

Properties

Complexity:

257

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.24g/mol

Monoisotopic Mass:

219.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties