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18791-20-3 | 1H-Indole-2-carboxylic acid, 2,3-dihydro-5,6-dihydroxy-
CAS No: 18791-20-3 Catalog No: AG002GKX MDL No:MFCD18382473
Product Description
Catalog Number:
AG002GKX
Chemical Name:
1H-Indole-2-carboxylic acid, 2,3-dihydro-5,6-dihydroxy-
CAS Number:
18791-20-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD18382473
IUPAC Name:
5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)
InChI Key:
JDWYRSDDJVCWPB-UHFFFAOYSA-N
SMILES:
OC(=O)C1Nc2c(C1)cc(c(c2)O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Detection of UDP-glucose:cyclo-DOPA 5-O-glucosyltransferase activity in four o'clocks (Mirabilis jalapa L.). | FEBS letters 20040618 |
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