Cas no 70986-34-4 (Benzoic acid, 4-formyl-, butyl ester)
70986-34-4 structure
Product Name:Benzoic acid, 4-formyl-, butyl ester
CAS No:70986-34-4
MF:C12H14O3
MW:206.237763881683
CID:546298
PubChem ID:19980992
Update Time:2025-04-19
Benzoic acid, 4-formyl-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-formyl-, butyl ester
- butyl 4-formylbenzoate
- SCHEMBL9099239
- DTXSID70601649
- 70986-34-4
-
- Inchi： 1S/C12H14O3/c1-2-3-8-15-12(14)11-6-4-10(9-13)5-7-11/h4-7,9H,2-3,8H2,1H3
- InChI Key： MZHJNYFOGXDJOU-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C=O)=CC=1)=O)CCCC
Computed Properties
- Exact Mass: 206.09432
- Monoisotopic Mass: 206.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 4-formyl-, butyl ester Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
Recommended suppliers
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
