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307511-65-5 | 3-Thiophenecarboxylic acid, 2-amino-4-(3,4-dimethylphenyl)-, ethyl ester
CAS No: 307511-65-5 Catalog No: AG00314R MDL No:MFCD01917263
Product Description
Catalog Number:
AG00314R
Chemical Name:
3-Thiophenecarboxylic acid, 2-amino-4-(3,4-dimethylphenyl)-, ethyl ester
CAS Number:
307511-65-5
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
MDL Number:
MFCD01917263
IUPAC Name:
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
InChI:
InChI=1S/C15H17NO2S/c1-4-18-15(17)13-12(8-19-14(13)16)11-6-5-9(2)10(3)7-11/h5-8H,4,16H2,1-3H3
InChI Key:
KLIHUUITIBDJMQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)scc1c1ccc(c(c1)C)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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