Cas no 114474-04-3 (methyl 2-(4-hydroxy-2-methylphenyl)acetate)
114474-04-3 structure
Product Name:methyl 2-(4-hydroxy-2-methylphenyl)acetate
CAS No:114474-04-3
MF:C10H12O3
MW:180.200483322144
CID:844955
PubChem ID:57431971
Update Time:2025-04-19
methyl 2-(4-hydroxy-2-methylphenyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-(4-hydroxy-2-methylphenyl)acetate
- 4-hydroxy-2-methylphenylacetic acid methyl ester
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- Inchi： 1S/C10H12O3/c1-7-5-9(11)4-3-8(7)6-10(12)13-2/h3-5,11H,6H2,1-2H3
- InChI Key： ZBQBSRXDNRKDPZ-UHFFFAOYSA-N
- SMILES： O(C)C(CC1C=CC(=CC=1C)O)=O
Computed Properties
- Exact Mass: 180.078644241g/mol
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 179
- 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: 1.7
- Topological Polar Surface Area: 46.5?2
methyl 2-(4-hydroxy-2-methylphenyl)acetate Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
114474-04-3 (methyl 2-(4-hydroxy-2-methylphenyl)acetate) Related Products
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- 4724-10-1(Methyl (3,5-Dihydroxyphenyl)acetate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 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)
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