Name: Name:6-hydroxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
Brand: Angene
SKU: AG01DWOV
Rating: 90 (10 reviews)

6-hydroxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

CAS No.:

82637-88-5

Catalog Number:

AG01DWOV

Molecular Formula:

C12H12N2O3

Molecular Weight:

232.2353

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG01DWOV

Chemical Name:

6-hydroxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

CAS Number:

82637-88-5

Molecular Formula:

C12H12N2O3

Molecular Weight:

232.2353

MDL Number:

MFCD19279242

IUPAC Name:

6-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

InChI:

InChI=1S/C12H12N2O3/c15-6-1-2-9-7(3-6)8-4-10(12(16)17)13-5-11(8)14-9/h1-3,10,13-15H,4-5H2,(H,16,17)

InChI Key:

UYSJXVJOZSYXFJ-UHFFFAOYSA-N

SMILES:

OC(=O)C1NCc2c(C1)c1cc(O)ccc1[nH]2

Properties

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.239g/mol

Monoisotopic Mass:

232.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.5

Literature

Title	Journal
Change in acceptability of barley plants to aphids after exposure to allelochemicals from couch-grass (Elytrigia repens).	Journal of chemical ecology 20030201