Basic information
- CAS
2555-20-6- Standard SMILES
COc1cccc2cc(C(=O)O)c(=O)oc12- InChIKey
SFAPWVZFUHJZIC-UHFFFAOYSA-N- Molecular formula
- C11H8O5
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.03717336
Overview
8-methoxycoumarin-3-carboxylic acid is a member of coumarins.
Names & identifiers
- Preferred name
- 8-Methoxy-2-oxo-2H-chromene-3-carboxylic acid
- IUPAC
- 8-methoxy-2-oxochromene-3-carboxylic acid
- English name
- 8-METHOXY-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID
- Molecular formula
- C11H8O5
- Molecular weight
- 220.18
Names & synonyms
8-Methoxy-2-oxo-2H-chromene-3-carboxylic acid2555-20-6DTXSID30283980RefChem:1074727DTXCID802351318-methoxy-2-oxochromene-3-carboxylic acid8-methoxycoumarin-3-carboxylic acid2H-1-Benzopyran-3-carboxylic acid, 8-methoxy-2-oxo-3-Carboxy-8-methoxycoumarinMFCD01116499NSC-346478-methoxy-2-oxo-2h-1-benzopyran-3-carboxylic acid
Show more names
AKOS BBS-00003094RARECHEM AB KA K012TIMTEC-BB SBB009306ART-CHEM-BB B0137898-METHOXY COUMARIN-3-CARBOXYLIC ACID
8-Methoxy-3-carboxycoumarin8GK9E9M6VRCHEMBL568348NSC34647UNII-8GK9E9M6VROprea1_497732Oprea1_5101378-methoxy-3-carboxy-coumarin
Database identifiers
- CAS
2555-20-6- PubChem CID
- 234562
- DTXSID
DTXSID30283980
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 214 °C · 214 °C
- FDA UNII
- 8 GK9E9M6VR · 8GK9E9M6VR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers16 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
53 records
Compound notes
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