Cas no 35480-26-3 (Benzenemethanol, 3-methoxy-, acetate)
35480-26-3 structure
Product Name:Benzenemethanol, 3-methoxy-, acetate
CAS No:35480-26-3
MF:C10H12O3
MW:180.200483322144
CID:1470903
PubChem ID:586565
Update Time:2025-04-20
Benzenemethanol, 3-methoxy-, acetate Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 3-methoxy-, acetate
- acetic acid 3-methoxy-benzyl ester
- SCHEMBL3147684
- M-METHOXYBENZYL ACETATE
- 3-methoxy-benzyl acetate
- 35480-26-3
- 3-Methoxybenzyl acetate
- DTXSID60875998
-
- Inchi： 1S/C10H12O3/c1-8(11)13-7-9-4-3-5-10(6-9)12-2/h3-6H,7H2,1-2H3
- InChI Key： AVTYLLXTBWFTSS-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC1C=CC=C(C=1)OC
Computed Properties
- Exact Mass: 198.08922
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 168
- 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
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 66.76
Benzenemethanol, 3-methoxy-, acetate Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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