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120109-75-3 | 3-Thiophenecarboxylic acid, 2-amino-4-cyclopropyl-, ethyl ester
CAS No: 120109-75-3 Catalog No: AG000QCF MDL No:MFCD02601797
Product Description
Catalog Number:
AG000QCF
Chemical Name:
3-Thiophenecarboxylic acid, 2-amino-4-cyclopropyl-, ethyl ester
CAS Number:
120109-75-3
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD02601797
IUPAC Name:
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
InChI:
InChI=1S/C10H13NO2S/c1-2-13-10(12)8-7(6-3-4-6)5-14-9(8)11/h5-6H,2-4,11H2,1H3
InChI Key:
OUDJEFKPUDVQBS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)scc1C1CC1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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