5-Hydroxyindole-2-carboxylic acid

CAT: 0926-H-6300-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-H-6300-01Size:25 g

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CAS Number

21598-06-1

MDL Number

MFCD00005615

Smiles

OC1=CC2=C (C=C1) NC (C (O) =O) =C2

Molecular Formula

C9H7NO3

Molecular Weight

177.16 g/mol

Controlled

Chemical Information

5-Hydroxyindole-2-carboxylic acid

5-Hydroxyindole-2-carboxylic acid is an indolyl carboxylic acid.

CAS Number	21598-06-1
PubChem CID	88958
IUPAC Name	5-hydroxy-1H-indole-2-carboxylic acid
Molecular Formula	C9H7NO3
Molecular Weight	177.16
XLogP	2
Topological Polar Surface Area	73.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	219

SMILES

C1=CC2=C(C=C1O)C=C(N2)C(=O)O

InChI

InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)

InChIKey

BIMHWDJKNOMNLD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21598-06-1

CID: 88958

Formula: C9H7NO3

MW: 177.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.16
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	177.042593085
Monoisotopic Mass	177.042593085
Topological Polar Surface Area	73.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	219
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
FH56775-01	3-Hydroxyindole-2-carboxylic acid methyl ester
H-6200-01	5-Hydroxyindole-3-acetic acid
H-6044-01	5-Hydroxyindole
FH172371-01	5-Hydroxyindole-3-acetic acid dicyclohexylammonium
GCA20931-01	5-Hydroxyindole-3-acetic acid-d2
FH156178-01	2-Hydroxyindole
HAA43382-01	5,5-Dimethyltetrahydrofuran-2-carboxylic acid
BHC13566-01	5,5-Difluorooxane-2-carboxylic acid
EAA34484	5-Oxotetrahydrofuran-2-carboxylic acid
FH24492-01	5-Hydroxypyrazine-2-carboxylic acid

Catalog	Name
234232-01	5-Hydroxyindole-2-carboxylic acid
279631-01	6-Hydroxyindole-2-carboxylic acid
sc-268404	7-Hydroxyindole-2-carboxylic acid
JH641582	1-hydroxyindole-2-carboxylic acid
280136-01	3-Hydroxyindole-2-carboxylic acid methyl ester
MBS342197-01	5-Hydroxyindole Acetic Acid
CS-T-28695	5-Hydroxyindole-3-acetic Acid
abx284143	5-Hydroxyindole Acetic Acid (HRP)
231952-01	3-Hydroxyindole-2-carboxylic acid methyl ester ≥95% (NMR)