Cas no 51985-05-8 (Phenol, 3-(1-methylethenyl)-, acetate)
51985-05-8 structure
Product Name:Phenol, 3-(1-methylethenyl)-, acetate
CAS No:51985-05-8
MF:C11H14O3
MW:194.227063655853
CID:360933
PubChem ID:71365863
Update Time:2025-04-19
Phenol, 3-(1-methylethenyl)-, acetate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-(1-methylethenyl)-, acetate
- acetic acid,3-prop-1-en-2-ylphenol
- Acetic acid--3-(prop-1-en-2-yl)phenol (1/1)
- 51985-05-8
- DTXSID00789247
-
- Inchi： 1S/C9H10O.C2H4O2/c1-7(2)8-4-3-5-9(10)6-8;1-2(3)4/h3-6,10H,1H2,2H3;1H3,(H,3,4)
- InChI Key： AXISMUINTMGGMV-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1)C(=C)C.OC(C)=O
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 160
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Phenol, 3-(1-methylethenyl)-, acetate Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Yi-Bin Ruan,Alexis Depauw,Isabelle Leray Org. Biomol. Chem., 2014,12, 4335-4341
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
51985-05-8 (Phenol, 3-(1-methylethenyl)-, acetate) Related Products
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