Cas no 170489-31-3 (1-Butanone, 1-(3,4,5-trimethoxyphenyl)-)
170489-31-3 structure
Product Name:1-Butanone, 1-(3,4,5-trimethoxyphenyl)-
CAS No:170489-31-3
MF:C13H18O4
MW:238.279624462128
CID:1357300
PubChem ID:14792277
Update Time:2024-03-01
1-Butanone, 1-(3,4,5-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 1-(3,4,5-trimethoxyphenyl)-
- 1-(3,4,5-trimethoxyphenyl)-1-butanone
- N14133
- HVOWYFZGULEWSI-UHFFFAOYSA-N
- SCHEMBL7837299
- 170489-31-3
-
- Inchi： 1S/C13H18O4/c1-5-6-10(14)9-7-11(15-2)13(17-4)12(8-9)16-3/h7-8H,5-6H2,1-4H3
- InChI Key： HVOWYFZGULEWSI-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C=C(C=1)C(CCC)=O)OC)OC
Computed Properties
- Exact Mass: 238.12054
- Monoisotopic Mass: 238.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 228
- 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: 2.3
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
1-Butanone, 1-(3,4,5-trimethoxyphenyl)- Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
170489-31-3 (1-Butanone, 1-(3,4,5-trimethoxyphenyl)-) Related Products
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- 178445-83-5(3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one)
- 4440-92-0(1,4-BUTANEDIONE)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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