Basic information
- CAS
887408-55-1- Standard SMILES
COc1ccc(-c2nn(CC(=O)O)cc2C=O)cc1- InChIKey
XHRPYZQGFKYPRQ-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.07970687
Names & identifiers
- Preferred name
- 2-[4-formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]acetic acid
- IUPAC
- 2-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]acetic acid
- English name
- [4-formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]acetic acid
- Molecular formula
- C13H12N2O4
- Molecular weight
- 260.25
Names & synonyms
887408-55-12-(4-Formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl)acetic acid2-[4-formyl-3-(4-methoxyphenyl)-1h-pyrazol-1-yl]acetic acidRefChem:457751865-703-4[4-Formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-acetic acid[4-formyl-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]acetic acid2-[4-formyl-3-(4-methoxyphenyl)pyrazol-1-yl]acetic AcidMFCD059979062-[4-formyl-3-(4-methoxyphenyl)pyrazolyl]acetic acidSCHEMBL15330287ALBB-008713
Show more names
2-[4-formyl-3-(4-methoxyphenyl)-1-pyrazolyl]acetic acid1H-Pyrazole-1-acetic acid, 4-formyl-3-(4-methoxyphenyl)-2-(4-formyl-3-(4-methoxyphenyl)-1H-pyrazole-1-yl)acetic acid2-[4-methanoyl-3-(4-methoxyphenyl)pyrazol-1-yl]ethanoic acid
SBB006936AKOS000321337ST058720SY084939DB-362575CS-0246487EN300-331586SR-01000285224
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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