Cas no 19969-04-1 (3-Heptanone, 1-phenyl-)
3-Heptanone, 1-phenyl- structure
Product Name:3-Heptanone, 1-phenyl-
CAS No:19969-04-1
MF:C13H18O
MW:190.281424045563
CID:1390880
PubChem ID:11830228
Update Time:2025-04-20
3-Heptanone, 1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptanone, 1-phenyl-
- 1-Phenyl-3-heptanone
- AKOS011914540
- SCHEMBL10204017
- DA-29104
- 19969-04-1
- 1-phenyl-heptan-3-one
-
- Inchi： 1S/C13H18O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
- InChI Key： ZGTHHNNORWULAE-UHFFFAOYSA-N
- SMILES： O=C(CCC1C=CC=CC=1)CCCC
Computed Properties
- Exact Mass: 190.135765193g/mol
- Monoisotopic Mass: 190.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 157
- 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: 3.2
- Topological Polar Surface Area: 17.1?2
3-Heptanone, 1-phenyl- Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
19969-04-1 (3-Heptanone, 1-phenyl-) Related Products
- 2550-26-7(4-phenylbutan-2-one)
- 1007-32-5(1-Phenyl-2-butanone)
- 3318-61-4(1-Phenylpentane-2,4-dione)
- 102-04-5(1,3-Diphenyl-2-propanone)
- 25870-62-6(1-Phenyl-2-hexanone)
- 104-53-0(3-Phenylpropanal)
- 18328-11-5(4-Phenylbutanal)
- 29898-25-7(1-Phenyl-3-hexanone)
- 20795-51-1(1-Phenylpentan-3-one)
- 6683-92-7(1-Phenyl-2-pentanone)
Recommended suppliers
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
