Cas no 95068-32-9 (Benzoic acid, 3-methoxy-2-[(2-methoxyphenyl)methyl]-)
![Benzoic acid, 3-methoxy-2-[(2-methoxyphenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/95500/95068-32-9x500.png)
95068-32-9 structure
Product Name:Benzoic acid, 3-methoxy-2-[(2-methoxyphenyl)methyl]-
CAS No:95068-32-9
MF:C16H16O4
MW:272.295845031738
CID:2818598
Update Time:2023-08-07
Benzoic acid, 3-methoxy-2-[(2-methoxyphenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-methoxy-2-[(2-methoxyphenyl)methyl]-
- 3-Methoxy-2-[(2-methoxyphenyl)methyl]benzoic acid
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- Inchi： 1S/C16H16O4/c1-19-14-8-4-3-6-11(14)10-13-12(16(17)18)7-5-9-15(13)20-2/h3-9H,10H2,1-2H3,(H,17,18)
- InChI Key： UQCLWFHCXOOGHV-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CC(C(=O)O)=C1CC1C=CC=CC=1OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 318
- XLogP3: 3.3
- Topological Polar Surface Area: 55.8
Benzoic acid, 3-methoxy-2-[(2-methoxyphenyl)methyl]- Related Literature
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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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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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