Cas no 77891-87-3 (Benzoic-carboxy-14Cacid, 4-amino-2-methoxy- (9CI))
77891-87-3 structure
Product Name:Benzoic-carboxy-14Cacid, 4-amino-2-methoxy- (9CI)
CAS No:77891-87-3
MF:C8H9NO3
MW:169.154503583908
CID:550986
PubChem ID:12687019
Update Time:2025-04-19
Benzoic-carboxy-14Cacid, 4-amino-2-methoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic-carboxy-14Cacid, 4-amino-2-methoxy- (9CI)
- 4-AMINO-2-METHOXYBENZOIC ACID [CARBOXYL-14C]
- 77891-87-3
-
- Inchi： 1S/C8H9NO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,9H2,1H3,(H,10,11)/i8+2
- InChI Key： OLJXRTRRJSMURJ-PPJXEINESA-N
- SMILES： O(C)C1C=C(C=CC=1[14C](=O)O)N
Computed Properties
- Exact Mass: 169.061
- Monoisotopic Mass: 169.061
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 0.6
- Topological Polar Surface Area: 72.6A^2
Benzoic-carboxy-14Cacid, 4-amino-2-methoxy- (9CI) Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
77891-87-3 (Benzoic-carboxy-14Cacid, 4-amino-2-methoxy- (9CI)) Related Products
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