Cas no 15831-10-4 (META-CRESOLCOMPOUNDWITHPARA-CRESOL)
15831-10-4 structure
Product Name:META-CRESOLCOMPOUNDWITHPARA-CRESOL
CAS No:15831-10-4
MF:C21H24O3
MW:324.413466453552
CID:121202
PubChem ID:20849333
Update Time:2025-04-18
META-CRESOLCOMPOUNDWITHPARA-CRESOL Chemical and Physical Properties
Names and Identifiers
-
- META-CRESOLCOMPOUNDWITHPARA-CRESOL
- (E)-4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
- m-Cresol, compd. with p-cresol (2:1)
- 15831-10-4
- DTXSID8029737
-
- Inchi： 1S/3C7H8O/c1-6-2-4-7(8)5-3-6;2*1-6-3-2-4-7(8)5-6/h3*2-5,8H,1H3
- InChI Key： NKDCSZBRRFCNHU-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(C)=C1.OC1=CC=CC(C)=C1.OC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 324.17254462g/mol
- Monoisotopic Mass: 324.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 0
- Complexity: 134
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.7?2
META-CRESOLCOMPOUNDWITHPARA-CRESOL Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
15831-10-4 (META-CRESOLCOMPOUNDWITHPARA-CRESOL) Related Products
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