AG00C0LJ

31827-04-0 | 3-Hydroxyindole-2-carboxylic acid methyl ester

AG00C0LJ

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CAS Number	31827-04-0
Catalog Number	AG00C0LJ(AGN-PC-0KUJPX)
Chemical Name	3-Hydroxyindole-2-carboxylic acid methyl ester
IUPAC Name	methyl 3-hydroxy-1H-indole-2-carboxylate
InChI	InChI=1S/C10H9NO3/c1-14-10(13)8-9(12)6-4-2-3-5-7(6)11-8/h2-5,11-12H,1H3
InChI Key	GHRXPKBLHFSXTB-UHFFFAOYSA-N
MDL Number	MFCD00030205
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	O=C(C(N1)=C(O)C2=C1C=CC=C2)OC
Synonyms	31827-04-0, 3-Hydroxyindole-2-carboxylic acid methyl ester, Methyl 3-hydroxy-1H-indole-2-carboxylate, METHYL 3-HYDROXYINDOLE-2-CARBOXYLATE, H-6358, 2-[hydroxy(methoxy)methylidene]-1H-indol-3-one, 1H-Indole-2-carboxylicacid, 3-hydroxy-, methyl ester, 3-HYDROXY-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER, zlchem 782, PubChem15863, AC1NYFW9, AC1O0RUM, AC1O9SX8, SCHEMBL4207606, CTK4G7804, DTXSID10392549, ZLD0241, GHRXPKBLHFSXTB-UHFFFAOYSA-N, ACT06117, ZINC2243036, FCH919396, MFCD00030205, AKOS002664613, AB01492, VI30203, ACM31827040, AJ-34183, BP-11111, CC-15320, OR322584, SC-49996, AX8012891, DB-048114, BB 0257330, FT-0639000, V5123, EN300-49725, A-8265, 2-[methoxy(oxidanyl)methylidene]-1H-indol-3-one, A821012, C-08253, S10-0008, (2E)-2-[hydroxy(methoxy)methylidene]-1H-indol-3-one, (2Z)-2-[hydroxy(methoxy)methylidene]-1H-indol-3-one, C10H9NO3, CID6791449, C2555, 2-(hydroxy-methoxy-methylidene)-1H-indol-3-one, 3-HYDROXY INDOLE-2-CARBOXYLIC ACID METHYLESTER,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	191.186g/mol
Monoisotopic Mass	191.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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