Methyl 3-Hydroxyindole-2-carboxylate

CAT: 0024-sc-218766Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-218766Size:250 mg

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CAS Number

31827-04-0

Chemical Information

Methyl 3-hydroxy-1H-indole-2-carboxylate

CAS Number	31827-04-0
PubChem CID	3446522
IUPAC Name	methyl 3-hydroxy-1H-indole-2-carboxylate
Molecular Formula	C10H9NO3
Molecular Weight	191.18
XLogP	2.4
Topological Polar Surface Area	62.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	231

SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)O

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

InChIKey

GHRXPKBLHFSXTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31827-04-0

CID: 3446522

Formula: C10H9NO3

MW: 191.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.18
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	191.058243149
Monoisotopic Mass	191.058243149
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-490580A	3-Hydroxyindole
sc-490580B	3-Hydroxyindole
sc-490580	3-Hydroxyindole
sc-269482	Methyl 3-methyl-thiophene-2-carboxylate
sc-263568A	Methyl 3-bromothiophene-2-carboxylate
sc-235735	Methyl 3-methylpyridine-2-carboxylate
sc-353877A	Methyl 3-aminonaphthalene-2-carboxylate
sc-235669	Methyl 2-bromopyridine-3-carboxylate
sc-269471	Methyl 3-ethoxythiophene-2-carboxylate
sc-235663	Methyl 2-aminothiophene-3-carboxylate

Catalog	Name
MBS6085239-01	Methyl 3-Hydroxyindole-2-carboxylate
FH56775-01	3-Hydroxyindole-2-carboxylic acid methyl ester
YKC77081-01	Methyl 3-methyl-2-oxopyrrolidine-3-carboxylate
DCA94011-01	Methyl 3-cyanopyridine-2-carboxylate
DCA82146-01	Methyl 3-methylquinoline-2-carboxylate
LDA16364-01	Methyl 3-sulfanylnaphthalene-2-carboxylate
JCA86277-01	Methyl 3-bromofuran-2-carboxylate
UAA07660-01	Methyl 2-formylfuran-3-carboxylate
SCA80871-01	Methyl 3-formylthiophene-2-carboxylate
REA38398	Methyl 3-chloropyridine-2-carboxylate