1-(Carboxymethyl)cyclopentanecarboxylic acid
Basic information
- CAS
62953-73-5- Standard SMILES
O=C(O)CC1(C(=O)O)CCCC1- InChIKey
DJUIQOUBGNHWPP-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- 1-(Carboxymethyl)cyclopentanecarboxylic acid
- IUPAC
- 1-(carboxymethyl)cyclopentane-1-carboxylic acid
- English name
- BUTTPARK 146\08-62
- Molecular formula
- C8H12O4
- Molecular weight
- 172.18
Names & synonyms
1-(carboxymethyl)cyclopentanecarboxylic acid62953-73-51-(carboxymethyl)cyclopentane-1-carboxylic acidMFCD00661792MLS0026947371-(carboxymethyl)-1-cyclopentanecarboxylic acidNSC87079butylene succinic acidMaybridge3_000269NCIOpen2_001066SCHEMBL3385172BUTTPARK 1468-62
Show more names
Cyclopentaneacetic acid, 1-carboxy-
CHEMBL2361905DTXSID30293064DJUIQOUBGNHWPP-UHFFFAOYSA-NHMS1431M05HMS3080B24BUTTPARK 146\08-62MCA95373NSC-87079
Database identifiers
- CAS
62953-73-5- PubChem CID
- 258291
- DTXSID
DTXSID30293064- ChEMBL
CHEMBL2361905
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 156.5 °C · 156.50 °C
- Boiling point
- 381.9 · 381.9±15.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.86 · 3.86±0.20(Predicted)
- form
- Crystalline Powder
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2917200090 · 2917200090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2917200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
Loading…