Cas no 1395039-72-1 (Methyl 3-amino-4-cyclopropoxybenzoate)
1395039-72-1 structure
Product Name:Methyl 3-amino-4-cyclopropoxybenzoate
CAS No:1395039-72-1
MF:C11H13NO3
MW:207.225823163986
CID:3162980
PubChem ID:84675000
Update Time:2025-04-21
Methyl 3-amino-4-cyclopropoxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-amino-4-cyclopropoxybenzoate
- SCHEMBL17101094
- Methyl3-amino-4-cyclopropoxybenzoate
- 1395039-72-1
-
- Inchi： 1S/C11H13NO3/c1-14-11(13)7-2-5-10(9(12)6-7)15-8-3-4-8/h2,5-6,8H,3-4,12H2,1H3
- InChI Key： NLXGEAZXWWXWBC-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)OC)=CC=1N)C1CC1
Computed Properties
- Exact Mass: 207.08954328Da
- Monoisotopic Mass: 207.08954328Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 240
- 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: 1.6
- Topological Polar Surface Area: 61.6?2
Methyl 3-amino-4-cyclopropoxybenzoate Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
1395039-72-1 (Methyl 3-amino-4-cyclopropoxybenzoate) Related Products
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