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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13NO3
Molecular Weight 219.2365
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-INDOLE-3-CARBOXYLIC ACID, 5-HYDROXY-2-METHYL-, ETHYL ESTER

SMILES

CCOC(=O)C1=C(C)NC2=C1C=C(O)C=C2

InChI

InChIKey=BSNHKSUAAMJXBB-UHFFFAOYSA-N
InChI=1S/C12H13NO3/c1-3-16-12(15)11-7(2)13-10-5-4-8(14)6-9(10)11/h4-6,13-14H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H13NO3
Molecular Weight 219.2365
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:37:42 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:42 GMT 2023
Record UNII
NV7P3AB9BM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-INDOLE-3-CARBOXYLIC ACID, 5-HYDROXY-2-METHYL-, ETHYL ESTER
Systematic Name English
3-ETHOXYCARBONYL-5-HYDROXY-2-METHYLINDOLE
Common Name English
NSC-405600
Code English
2-METHYL-3-CARBETHOXY-5-HYDROXYINDOLE
Common Name English
ETHYL 5-HYDROXY-2-METHYLINDOLE-3-CARBOXYLATE
Common Name English
5-HYDROXY-2-METHYL-1H-INDOLE-3-CARBOXYLIC ACID ETHYL ESTER
Common Name English
3-(ETHOXYCARBONYL)-2-METHYL-5-HYDROXYINDOLE
Common Name English
ETHYL 5-HYDROXY-2-METHYL-1H-INDOLE-3-CARBOXYLATE
Common Name English
INDOLE-3-CARBOXYLIC ACID, 5-HYDROXY-2-METHYL-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
NV7P3AB9BM
Created by admin on Sat Dec 16 18:37:42 GMT 2023 , Edited by admin on Sat Dec 16 18:37:42 GMT 2023
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NSC
405600
Created by admin on Sat Dec 16 18:37:42 GMT 2023 , Edited by admin on Sat Dec 16 18:37:42 GMT 2023
PRIMARY
PUBCHEM
82073
Created by admin on Sat Dec 16 18:37:42 GMT 2023 , Edited by admin on Sat Dec 16 18:37:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID40226883
Created by admin on Sat Dec 16 18:37:42 GMT 2023 , Edited by admin on Sat Dec 16 18:37:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-507-7
Created by admin on Sat Dec 16 18:37:42 GMT 2023 , Edited by admin on Sat Dec 16 18:37:42 GMT 2023
PRIMARY
CAS
7598-91-6
Created by admin on Sat Dec 16 18:37:42 GMT 2023 , Edited by admin on Sat Dec 16 18:37:42 GMT 2023
PRIMARY