Basic information
- CAS
383132-77-2- Standard SMILES
COc1ccc(C)c2[nH]c(C(=O)O)cc12- InChIKey
JYPDQXPGNMLIJO-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 4-Methoxy-7-methyl-1H-indole-2-carboxylic acid
- IUPAC
- 4-methoxy-7-methyl-1H-indole-2-carboxylic acid
- English name
- 4-Methoxy-7-methyl-1H-indole-2-carboxylic acid
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
4-methoxy-7-methyl-1H-indole-2-carboxylic Acid383132-77-2DTXSID60398071RefChem:524639DTXCID60348930111-597-3MFCD02664484SCHEMBL1144735IQA13277AKOS001476422SY2847614-Methoxy-7-methylindole-2-carboxylic Acid
Show more names
7-METHYL-4-METHOXYINDOLE-2-CARBOXYLIC ACID1H-Indole-2-carboxylic acid, 4-methoxy-7-methyl-
DB-263162CS-02565964-methoxy-7-methyl-1H-indole-2-carboxylicAcidEN300-6499066Z1509472028
Database identifiers
- CAS
383132-77-2- PubChem CID
- 3934508
- DTXSID
DTXSID60398071- EC Number
- 111-597-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- form
- solid
- InChI
- 1S/C11H11NO3/c1-6-3-4-9(15-2)7-5-8(11(13)14)12-10(6)7/h3-5,12H,1-2H3,(H,13,14)
- InChIKey
- JYPDQXPGNMLIJO-UHFFFAOYSA-N
- SMILES
- CC1=C2NC(C(O)=O)=CC2=C(OC)C=C1
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319-H410
- Precautionary statements
- 261 · P261-P264-P273-P280-P280-P391
- WGK Germany
- 3 · WGK 3
- Storage Class
- 13 · 13 - Non Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H315-H317-H319-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P264-P273-P280-P280-P391
Chemistry & industry
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海悦耳化学品有限公司+86-021-50890968，021-50891159 +86-18601776121 · [email protected]
武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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