Cas no 108293-41-0 (Benzoic acid, 2-formyl-3-methyl-, methyl ester)
108293-41-0 structure
Product Name:Benzoic acid, 2-formyl-3-methyl-, methyl ester
CAS No:108293-41-0
MF:C10H10O3
MW:178.184603214264
CID:3592868
PubChem ID:15187791
Update Time:2025-04-22
Benzoic acid, 2-formyl-3-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-formyl-3-methyl-, methyl ester
- 2-Formyl-3-methyl-benzoic acid methyl ester
- 108293-41-0
- Methyl 2-formyl-3-methylbenzoate
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- Inchi: 1S/C10H10O3/c1-7-4-3-5-8(9(7)6-11)10(12)13-2/h3-6H,1-2H3
- InChI Key: FJSABEYYENXPBJ-UHFFFAOYSA-N
- SMILES: C(OC)(=O)C1=CC=CC(C)=C1C=O
Computed Properties
- Exact Mass: 178.062994177Da
- Monoisotopic Mass: 178.062994177Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 200
- 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: 1.6
- Topological Polar Surface Area: 43.4?2
Benzoic acid, 2-formyl-3-methyl-, methyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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