Cas no 55990-52-8 (Benzoic acid, 2-(3-amino-4-methoxybenzoyl)-)
55990-52-8 structure
Product Name:Benzoic acid, 2-(3-amino-4-methoxybenzoyl)-
CAS No:55990-52-8
MF:C15H13NO4
MW:271.268024206162
CID:350158
PubChem ID:13207873
Update Time:2025-04-19
Benzoic acid, 2-(3-amino-4-methoxybenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(3-amino-4-methoxybenzoyl)-
- 2-(3-amino-4-methoxybenzoyl)benzoic acid
- SCHEMBL11802775
- 55990-52-8
- 2-(3-Amino-4-methoxybenzoyl)benzoesaure
- DTXSID10527874
-
- Inchi： 1S/C15H13NO4/c1-20-13-7-6-9(8-12(13)16)14(17)10-4-2-3-5-11(10)15(18)19/h2-8H,16H2,1H3,(H,18,19)
- InChI Key： XYSSYZFOXUESIS-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1N)C(C1C=CC=CC=1C(=O)O)=O
Computed Properties
- Exact Mass: 271.08449
- Monoisotopic Mass: 271.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 371
- 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: 2.1
- Topological Polar Surface Area: 89.6?2
Experimental Properties
- PSA: 89.62
Benzoic acid, 2-(3-amino-4-methoxybenzoyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
55990-52-8 (Benzoic acid, 2-(3-amino-4-methoxybenzoyl)-) Related Products
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