Cas no 831171-87-0 (Benzaldehyde, 4-methoxy-2-(2-oxo-3-phenylpropyl)-)
831171-87-0 structure
Product Name:Benzaldehyde, 4-methoxy-2-(2-oxo-3-phenylpropyl)-
CAS No:831171-87-0
MF:C17H16O3
MW:268.307145118713
CID:678199
PubChem ID:12194784
Update Time:2025-04-19
Benzaldehyde, 4-methoxy-2-(2-oxo-3-phenylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 4-methoxy-2-(2-oxo-3-phenylpropyl)-
- 4-methoxy-2-(2-oxo-3-phenylpropyl)benzaldehyde
- DTXSID20479931
- 831171-87-0
-
- Inchi： 1S/C17H16O3/c1-20-17-8-7-14(12-18)15(11-17)10-16(19)9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
- InChI Key： SIIGCPITCIDEDP-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C=O)=C(C=1)CC(CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 268.109944368g/mol
- Monoisotopic Mass: 268.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 320
- 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: 2.6
- Topological Polar Surface Area: 43.4?2
Benzaldehyde, 4-methoxy-2-(2-oxo-3-phenylpropyl)- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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