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167280-87-7 | 2-Thiophenecarboxylic acid, 3-amino-4,5-dihydro-, methyl ester
CAS No: 167280-87-7 Catalog No: AG001X9A MDL No:MFCD01570139
Product Description
Catalog Number:
AG001X9A
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-4,5-dihydro-, methyl ester
CAS Number:
167280-87-7
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
MDL Number:
MFCD01570139
IUPAC Name:
methyl 4-amino-2,3-dihydrothiophene-5-carboxylate
InChI:
InChI=1S/C6H9NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3,7H2,1H3
InChI Key:
DPYPWIVLRCXERW-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(N)CCS1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.203g/mol
Monoisotopic Mass:
159.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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