Cas no 94201-03-3 (5-(4-Methylphenyl)heptanal)
5-(4-Methylphenyl)heptanal structure
Product Name:5-(4-Methylphenyl)heptanal
CAS No:94201-03-3
MF:C14H20O
MW:204.308004379272
CID:812298
PubChem ID:3023975
Update Time:2025-04-19
5-(4-Methylphenyl)heptanal Chemical and Physical Properties
Names and Identifiers
-
- 5-(4-Methylphenyl)heptanal
- NS00066204
- DTXSID80916150
- EINECS 303-584-8
- 94201-03-3
-
- Inchi： 1S/C14H20O/c1-3-13(6-4-5-11-15)14-9-7-12(2)8-10-14/h7-11,13H,3-6H2,1-2H3
- InChI Key： ZLJBIAXKACXRHZ-UHFFFAOYSA-N
- SMILES： O=CCCCC(C1C=CC(C)=CC=1)CC
Computed Properties
- Exact Mass: 204.151415257g/mol
- Monoisotopic Mass: 204.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 3.7
- Topological Polar Surface Area: 17.1?2
5-(4-Methylphenyl)heptanal Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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