Cas no 37874-91-2 ( )
structure
Product Name:
CAS No:37874-91-2
MF:C13H16O
MW:188.265543937683
CID:922723
PubChem ID:299707
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-[4-(cyclobutylmethyl)phenyl]ethanone
- 4'-Cyclobutylmethylacetophenon
- 4-Cyclobutylmethyl-acetophenon
- AC1L6V1A
- NSC173001
- 37874-91-2
- NSC-173001
- DTXSID10305977
-
-
- Inchi： 1S/C13H16O/c1-10(14)13-7-5-12(6-8-13)9-11-3-2-4-11/h5-8,11H,2-4,9H2,1H3
- InChI Key： PCKSGTMEUNWIQK-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CC(=CC=1)CC1CCC1
Computed Properties
- Exact Mass: 188.12018
- Monoisotopic Mass: 188.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 197
- 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: 3.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
- LogP: 3.23180
Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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