1-(Hydroxymethyl)cyclobutane-1-carboxylic acid
Basic information
- CAS
114671-90-8- Standard SMILES
O=C(O)C1(CO)CCC1- InChIKey
LVJOUTSTBBXGQS-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- 1-(Hydroxymethyl)cyclobutane-1-carboxylic acid
- IUPAC
- 1-(hydroxymethyl)cyclobutane-1-carboxylic acid
- English name
- 1-(hydroxymethyl)Cyclobutanecarboxylic acid
- Molecular formula
- C6H10O3
- Molecular weight
- 130.14
Names & synonyms
114671-90-81-(hydroxymethyl)cyclobutane-1-carboxylic acidRefChem:427867890-532-71-(Hydroxymethyl)cyclobutanecarboxylic acidMFCD20126385SCHEMBL13898741AKOS015968651AB934251-(Hydroxymethyl)cyclobutanecarboxylicacidAS-48477SY241667
Show more names
Cyclobutanecarboxylic acid, 1-(hydroxymethyl)-1-(hydroxymethyl)cyclobutanecarboxylic acid - [H81439]
CS-0155434PEA67190FT-0723DA-20228EN300-149975F31332F689925Z1263714391
Database identifiers
- CAS
114671-90-8- PubChem CID
- 57596060
- EC Number
- 890-532-7
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C6H10O3/c7-4-6(5(8)9)2-1-3-6/h7H,1-4H2,(H,8,9)
- InChIKey
- LVJOUTSTBBXGQS-UHFFFAOYSA-N
- SMILES
- C1(CO)(C(O)=O)CCC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…