Cas no 77769-87-0 (Benzoic acid, 2-(4-carboxyphenoxy)-4-nitro-)
77769-87-0 structure
Product Name:Benzoic acid, 2-(4-carboxyphenoxy)-4-nitro-
CAS No:77769-87-0
MF:C14H9NO7
MW:303.223764181137
CID:535550
PubChem ID:71403232
Update Time:2025-04-19
Benzoic acid, 2-(4-carboxyphenoxy)-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(4-carboxyphenoxy)-4-nitro-
- 2-(4-carboxyphenoxy)-4-nitrobenzoic acid
- DTXSID90824156
- 77769-87-0
-
- Inchi： 1S/C14H9NO7/c16-13(17)8-1-4-10(5-2-8)22-12-7-9(15(20)21)3-6-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19)
- InChI Key： DJVZSOYMMHQSII-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)O)=CC=1)C1C=C(C=CC=1C(=O)O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 303.03787
- Monoisotopic Mass: 303.03790163g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 439
- 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: 2.5
- Topological Polar Surface Area: 130?2
Experimental Properties
- PSA: 126.97
Benzoic acid, 2-(4-carboxyphenoxy)-4-nitro- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
77769-87-0 (Benzoic acid, 2-(4-carboxyphenoxy)-4-nitro-) Related Products
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