Basic information
- CAS
53750-68-8- Standard SMILES
N#CC1CC2C=CC1O2- InChIKey
AHQSHUPQQYFVER-UHFFFAOYSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276385
Names & identifiers
- Preferred name
- 7-Oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
- IUPAC
- 7-oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
- English name
- 7-Oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile
- Molecular formula
- C7H7NO
- Molecular weight
- 121.14
Names & synonyms
7-Oxabicyclo[2.2.1]hept-5-ene-2-carbonitrile53750-68-8MFCD261318327-oxabicyclo[2.2.1]hept-2-ene-5-carbonitrileSCHEMBL4738409DTXSID30481101AHQSHUPQQYFVER-UHFFFAOYSA-N7-Oxabicyclo[2.2.1]hept-5-enAKOS037651249CS-16244SY410186CS-0094252
Show more names
7-Oxabicyclo[2 2 1]hept-5-ene-2-carbonitrileF616219
Database identifiers
- CAS
53750-68-8- PubChem CID
- 12221007
- DTXSID
DTXSID30481101- Nikkaji
- J1.738.458I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 255.1 · 255.1±40.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
Chemistry & industry
Suppliers34 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Shanghai Safer Pharmaceutical Technology Co., Ltd.021-31761238 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
斯洋（辽宁）生化制品有限公司+86-15221114306; +86-15221114306 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
东阳市求索医药科技有限公司17502510579 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
卡斯诺化工有限公司86-13710190520 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
湖南嘉航医药科技有限公司85567275 18932438858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
天津凯芾医药科技有限公司18081075745 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
三晶新材料科技（泰州）有限公司13852622638 · [email protected]
上海进取者生物医药科技有限公司19121164345; 1 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
2 records
Compound notes
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