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39978-14-8 | Methyl 4-aminothiophene-3-carboxylate hydrochloride
CAS No: 39978-14-8 Catalog No: AG00357C MDL No:MFCD00068149
Product Description
Catalog Number:
AG00357C
Chemical Name:
Methyl 4-aminothiophene-3-carboxylate hydrochloride
CAS Number:
39978-14-8
Molecular Formula:
C6H8ClNO2S
Molecular Weight:
193.6512
MDL Number:
MFCD00068149
IUPAC Name:
methyl 4-aminothiophene-3-carboxylate;hydrochloride
InChI:
InChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-2-10-3-5(4)7;/h2-3H,7H2,1H3;1H
InChI Key:
JGIRDDQLZLXRKQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cscc1N.Cl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.996g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.645g/mol
Monoisotopic Mass:
192.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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