Basic information
- CAS
13932-55-3- Standard SMILES
O=C(O)Oc1ccccc1- InChIKey
QIIPQYDSKRYMFG-UHFFFAOYSA-N- Molecular formula
- C7H6O3
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.03169405
Names & identifiers
- Preferred name
- Monophenyl carbonate
- IUPAC
- phenyl hydrogen carbonate
- English name
- Carbonic acid, monophenyl ester
- Molecular formula
- C7H6O3
- Molecular weight
- 138.12
Names & synonyms
phenyl hydrogen carbonate13932-55-3monophenyl carbonateRF09RAN2X2Carbonic acid, monophenyl esterUNII-RF09RAN2X2RefChem:201818phenoxycarboxylic acidLenvatinib Impurity N2SCHEMBL37064SCHEMBL55636SCHEMBL7261346
Show more names
Amcenestrant Impurity 7
SCHEMBL9722328SCHEMBL28009538
Database identifiers
- CAS
13932-55-3- PubChem CID
- 66736
- UNII
- RF09RAN2X2
- Nikkaji
- J2.551.973F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 234 · 234-235 °C
- Boiling point
- 250.7 · 250.7±23.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 2.84 · 2.84±0.41(Predicted)
- FDA UNII
- 9 RAN2X2 · RF09RAN2X2
Chemistry & industry
Suppliers6 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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