Cas no 117610-59-0 (Benzoic-3,5-t2 acid,4-amino- (9CI))
117610-59-0 structure
Product Name:Benzoic-3,5-t2 acid,4-amino- (9CI)
CAS No:117610-59-0
MF:C7H7NO2
MW:141.152200460434
CID:131584
PubChem ID:12209227
Update Time:2025-04-19
Benzoic-3,5-t2 acid,4-amino- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic-3,5-t2 acid,4-amino- (9CI)
- 4-AMINOBENZOIC ACID, [3,5-3H]
- AMINOBENZOIC ACID-P, [3,5-3H]
- P-AMINOBENZOIC ACID, [3,5-3H]-
- 4-Amino-3,5-ditritiobenzoic acid
- 117610-59-0
- 4-Aminobenzoic acid,[3,5-3h]
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- Inchi： 1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)/i3T,4T
- InChI Key： ALYNCZNDIQEVRV-PZFLKRBQSA-N
- SMILES： OC(C1C=C([3H])C(=C([3H])C=1)N)=O
Computed Properties
- Exact Mass: 141.064126965g/mol
- Monoisotopic Mass: 141.064126965g/mol
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 128
- 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: 0.8
- Topological Polar Surface Area: 63.3?2
Benzoic-3,5-t2 acid,4-amino- (9CI) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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