AG00DDBG

4790-08-3 | 5,6-Dihydroxy-1H-indole-2-carboxylic acid

AG00DDBG

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CAS Number	4790-08-3
Catalog Number	AG00DDBG(AGN-PC-0JLMCG)
Chemical Name	5,6-Dihydroxy-1H-indole-2-carboxylic acid
IUPAC Name	5,6-dihydroxy-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)
InChI Key	YFTGOBNOJKXZJC-UHFFFAOYSA-N
MDL Number	MFCD02181103
Molecular Formula	C9H7NO4
Molecular Weight	193.1562
SMILES	OC=1C=C2C=C(NC2=CC1O)C(=O)O
Synonyms	5,6-DHICA, 5,6-dihydroxy-2-indolecarboxylic acid, 5,6-dihydroxy-2-indolylcarboxylic acid, 5,6-dihydroxyindole-2-carboxylic acid, DHI2C, 5,6-Dihydroxy-1H-indole-2-carboxylic acid, 4790-08-3, DHICA, 5,6-dihydroxyindole-2-carboxylic acid, DHI2C, 5,6-Dhica, 5,6-dihydroxy-2-indolylcarboxylic acid, 5,6-Dihydroxy-2-indolecarboxylic acid, 5,6-dihydroxyindole-2-carboxylate, 1H-Indole-2-carboxylic acid, 5,6-dihydroxy-, CHEBI:2003, CHEMBL267855, 5,6-Dihydroxy-2-carboxyindole, AK-82154, AC1L3ORB, AC1Q5UQ0, SCHEMBL49512, 2-Carboxy-5,6-dihydroxyindole, ASIS-0092, CTK1D7627, DTXSID40197327, YFTGOBNOJKXZJC-UHFFFAOYSA-N, ZINC901972, 5,6-Dihydroxy-2-indolecarboxylate, 5,6-Dihydroxy-2-indolylcarboxylate, ANW-67796, BDBM50420376, FCH845716, MFCD02181103, AKOS006279100, AJ-24394, DS-16518, AX8236853, ST2405965, TC-156541, 4CH-017168, FT-0660760, FT-0667118, 1H-Indole-2-carboxylicacid, 5,6-dihydroxy-, C04185, AR-1G6179, CID119405, 5,6-dihydroxy-1H-indole-2-carboxylicacid, 5,6-dihydroxy-1H-indole-2-carboxylate, C030692, 5117-12-4,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	193.158g/mol
Monoisotopic Mass	193.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	93.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number