Cas no 666735-14-4 (Benzoic acid, 2-amino-5-methoxy-4-methyl-, methyl ester (9CI))
666735-14-4 structure
Product Name:Benzoic acid, 2-amino-5-methoxy-4-methyl-, methyl ester (9CI)
CAS No:666735-14-4
MF:C10H13NO3
MW:195.215122938156
CID:1023026
PubChem ID:20281748
Update Time:2025-04-20
Benzoic acid, 2-amino-5-methoxy-4-methyl-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-amino-5-methoxy-4-methyl-, methyl ester (9CI)
- SCHEMBL3899027
- Methyl 2-amino-5-methoxy-4-methylbenzoate
- 666735-14-4
- VUSCAMYBJODOLO-UHFFFAOYSA-N
-
- Inchi： 1S/C10H13NO3/c1-6-4-8(11)7(10(12)14-3)5-9(6)13-2/h4-5H,11H2,1-3H3
- InChI Key： VUSCAMYBJODOLO-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=O)OC)C(=CC=1C)N
Computed Properties
- Exact Mass: 195.08954328g/mol
- Monoisotopic Mass: 195.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- 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
- Topological Polar Surface Area: 61.6?2
Benzoic acid, 2-amino-5-methoxy-4-methyl-, methyl ester (9CI) Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
666735-14-4 (Benzoic acid, 2-amino-5-methoxy-4-methyl-, methyl ester (9CI)) Related Products
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