Basic information
- CAS
57056-39-0- Standard SMILES
O=C(O)CC(CC(=O)O)CC(=O)O- InChIKey
XYKQMCAWQYSNKA-UHFFFAOYSA-N- Molecular formula
- C7H10O6
- Average molar mass
- 190.15 g/mol
- Monoisotopic mass
- 190.04773804
Names & identifiers
- Preferred name
- 3-(Carboxymethyl)pentanedioic acid
- IUPAC
- 3-(carboxymethyl)pentanedioic acid
- English name
- 3-(carboxymethyl)pentanedioic acid
- Molecular formula
- C7H10O6
- Molecular weight
- 190.15
Names & synonyms
3-(carboxymethyl)pentanedioic acid57056-39-0DTXSID40275679RefChem:275245DTXCID00199625MethantriessigsaureNSC23786Pentanedioic acid, 3-(carboxymethyl)-SCHEMBL240562SCHEMBL2405633-(carboxymethyl)pentanedioicacidHCA05639
Show more names
Methanetriacetic acidNSC 23786XYKQMCAWQYSNKA-UHFFFAOYSA-N?3-carboxymethylglutaric acid3-(carboxymethyl)pentanedioicaci
NSC-23786AKOS026726680DB-314666EN300-118307
Database identifiers
- CAS
57056-39-0- PubChem CID
- 62382
- DTXSID
DTXSID40275679- EC Number
- 883-829-8
- Nikkaji
- J1.324.430H
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 127 · 127-128℃
- Boiling point
- 369.2 · 369.2±22.0 °C(Predicted)
- Density
- 1.481 · 1.481
- pka
- 3.86 · 3.86±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
华世药业（南京）有限公司025-57672321 13739186949 · [email protected]
徐州博康化学科技股份有限公司051686297676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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