Basic information
- CAS
16698-52-5- Standard SMILES
O=C(O)C1CCC=CO1- InChIKey
OTLWUWJIIXAOEO-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734412
Names & identifiers
- Preferred name
- 3,4-dihydro-2H-pyran-2-carboxylic acid
- IUPAC
- 3,4-dihydro-2H-pyran-2-carboxylic acid
- English name
- 3,4-Dihydro-2H-pyran-2-carboxylic acid
- Molecular formula
- C6H8O3
- Molecular weight
- 128.13
Names & synonyms
3,4-Dihydro-2H-pyran-2-carboxylic acid34201-01-9DTXSID80955746RefChem:1065749DTXCID001383732251-875-2EINECS 240-748-7AI3-500683,4-Dihydro-2H-pyran-2-carboxylicacid2H-Pyran-2-carboxylic acid, 3,4-dihydro-, sodium saltEINECS 251-875-2SCHEMBL1397121
Show more names
2H-PYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-
SCHEMBL9257533MFCD06203287NSC 86113AKOS006379736SB22729SY3431913,4-Dihydro-2 H-pyran-2-carboxylic acidNS00089650
Database identifiers
- CAS
16698-52-5、34201-01-9- PubChem CID
- 118140
- DTXSID
DTXSID80955746- EC Number
- 251-875-2
- Nikkaji
- J88.919I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety data
- hs_code
- 2932990090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
Related reactions
11 records
Compound notes
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