Cas no 1285516-45-1 (4-(Benzyloxy)-3-(methoxycarbonyl)benzoic acid)
1285516-45-1 structure
Product Name:4-(Benzyloxy)-3-(methoxycarbonyl)benzoic acid
CAS No:1285516-45-1
MF:C16H14O5
MW:286.279365062714
CID:2113979
Update Time:2023-08-04
4-(Benzyloxy)-3-(methoxycarbonyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-(benzyloxy)-3-(methoxycarbonyl)benzoic acid
- MNLNIOZMKGDDDY-UHFFFAOYSA-N
- 3-[(Methyloxy)carbonyl]-4-[(phenylmethyl)oxy]benzoic acid
- 1,3-Benzenedicarboxylic acid, 4-(phenylmethoxy)-, 3-methyl ester
- 4-(Benzyloxy)-3-(methoxycarbonyl)benzoic acid
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- Inchi： 1S/C16H14O5/c1-20-16(19)13-9-12(15(17)18)7-8-14(13)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)
- InChI Key： MNLNIOZMKGDDDY-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C=CC(C(=O)O)=CC=1C(=O)OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 362
- Topological Polar Surface Area: 72.8
4-(Benzyloxy)-3-(methoxycarbonyl)benzoic acid Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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