Cas no 159783-30-9 (Benzoic acid, 3-(1,1-dimethylethoxy)-4-methoxy-)
159783-30-9 structure
Product Name:Benzoic acid, 3-(1,1-dimethylethoxy)-4-methoxy-
CAS No:159783-30-9
MF:C12H16O4
MW:224.253044128418
CID:1338946
PubChem ID:21187848
Update Time:2025-04-20
Benzoic acid, 3-(1,1-dimethylethoxy)-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(1,1-dimethylethoxy)-4-methoxy-
- DTXSID501257287
- 3-(1,1-Dimethylethoxy)-4-methoxybenzoic acid
- SCHEMBL7361174
- 159783-30-9
-
- Inchi： 1S/C12H16O4/c1-12(2,3)16-10-7-8(11(13)14)5-6-9(10)15-4/h5-7H,1-4H3,(H,13,14)
- InChI Key： GCXHZLHIABBUBM-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(=O)O)C=CC=1OC)C(C)(C)C
Computed Properties
- Exact Mass: 224.10488
- Monoisotopic Mass: 224.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 244
- 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: 2.6
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Benzoic acid, 3-(1,1-dimethylethoxy)-4-methoxy- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
159783-30-9 (Benzoic acid, 3-(1,1-dimethylethoxy)-4-methoxy-) Related Products
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