Basic information
- CAS
4655-70-3- Standard SMILES
N#Cc1cc(O)c(C#N)cc1O- InChIKey
XCVWVIHAUUKVAL-UHFFFAOYSA-N- Molecular formula
- C8H4N2O2
- Average molar mass
- 160.13 g/mol
- Monoisotopic mass
- 160.02727738
Names & identifiers
- Preferred name
- 2,5-Dihydroxyterephthalonitrile
- IUPAC
- 2,5-dihydroxybenzene-1,4-dicarbonitrile
- English name
- 1,4-Benzenedicarbonitrile, 2,5-dihydroxy-
- Molecular formula
- C8H4N2O2
- Molecular weight
- 160.13
Names & synonyms
2,5-dihydroxyterephthalonitrile4655-70-31,4-benzenedicarbonitrile, 2,5-dihydroxy-2,5-dicyanohydroquinoneMFCD247145492,5-dihydroxybenzene-1,4-dicarbonitrileSCHEMBL7765659DTXSID80349166XCVWVIHAUUKVAL-UHFFFAOYSA-NH40058InChI=1/C8H4N2O2/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2,11-122,5-Dicyanhydrochinon
Database identifiers
- CAS
4655-70-3- PubChem CID
- 643391
- DTXSID
DTXSID80349166
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 231
Chemistry & industry
Suppliers8 total
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
贵州易妥化学科技有限公司18628235590 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Henan Lavoisier Chemical Products Co.Ltd+86-86-37163682289 +8615981966935 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
4 records
Compound notes
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