(10-Carboxymethyl-anthracen-9-YL)-acetic acid
Basic information
- CAS
25178-60-3- Standard SMILES
O=C(O)Cc1c2ccccc2c(CC(=O)O)c2ccccc12- InChIKey
BBDHEBFBEPYAMC-UHFFFAOYSA-N- Molecular formula
- C18H14O4
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.08920892
Names & identifiers
- Preferred name
- (10-Carboxymethyl-anthracen-9-YL)-acetic acid
- IUPAC
- 2-[10-(carboxymethyl)anthracen-9-yl]acetic acid
- English name
- 2-[10-(carboxymethyl)anthracen-9-yl]acetic acid
- Molecular formula
- C18H14O4
- Molecular weight
- 294.30136
Names & synonyms
25178-60-3(10-CARBOXYMETHYL-ANTHRACEN-9-YL)-ACETIC ACIDRefChem:392504683-751-22,2'-(Anthracene-9,10-diyl)diacetic acidorb3214721SCHEMBL7826233SCHEMBL30130273MFCD00229152AKOS024331821SY4584762,2'-(Anthracene-9,10-diyl)diaceticacid
Show more names
2-[10-(carboxymethyl)anthracen-9-yl]acetic acid
9,10-anthracenediyl-bis(methylene)dicarboxylic acid2,2 inverted exclamation mark -(Anthracene-9,10-diyl)diacetic Acid
Database identifiers
- CAS
25178-60-3- PubChem CID
- 3593471
- EC Number
- 683-751-2
- Nikkaji
- J2.940.631F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
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]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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