Basic information
- CAS
600-33-9- Standard SMILES
O=C(O)C(Cl)C(=O)O- InChIKey
AFXWHCJMTLWFKF-UHFFFAOYSA-N- Molecular formula
- C3H3ClO4
- Average molar mass
- 138.5 g/mol
- Monoisotopic mass
- 137.9719863
Names & identifiers
- Preferred name
- Propanedioic acid, chloro-
- IUPAC
- 2-chloropropanedioic acid
- English name
- chloromalonic acid
- Molecular formula
- C3H3ClO4
- Molecular weight
- 138.51
Names & synonyms
Chloromalonic acid600-33-9Propanedioic acid, chloro-DTXSID60208702RefChem:374489DTXCID701311932-Chloromalonic acid2-chloropropanedioic acidchlormalonsaureChloropropanedioic acidSCHEMBL584638CHEMBL3558710
Show more names
NSC 139938AFXWHCJMTLWFKF-UHFFFAOYSA-NPropanedioic acid, 2-chloro-
AKOS006295757DB-355960
Database identifiers
- CAS
600-33-9- PubChem CID
- 11751
- DTXSID
DTXSID60208702- ChEMBL
CHEMBL3558710- Nikkaji
- J485E
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 361.1 · 361.1±27.0 °C(Predicted)
- Density
- 1.751 · 1.751
- pka
- 1.03 · 1.03±0.34(Predicted)
Chemistry & industry
Suppliers9 total
上海忝晴化工有限公司+8613816254020 · [email protected]
常熟泓德生物科技有限公司18951116523 17712623939 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
东阳市求索医药科技有限公司17502510579 · [email protected]
天水屹垚化学有限公司0938-0938-8493022 15379872136 · [email protected]
Xuzhou B&C Chemical Technology Co., Ltd+86-400-0516-021 +86-15190678838 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [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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