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125089-02-3 | 2-Thiophenecarboxylic acid, 3-amino-4,5-dihydro-4-methyl-, methyl ester
CAS No: 125089-02-3 Catalog No: AG000N4N MDL No:MFCD01879631
Product Description
Catalog Number:
AG000N4N
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-4,5-dihydro-4-methyl-, methyl ester
CAS Number:
125089-02-3
Molecular Formula:
C7H11NO2S
Molecular Weight:
173.2327
MDL Number:
MFCD01879631
IUPAC Name:
methyl 4-amino-3-methyl-2,3-dihydrothiophene-5-carboxylate
InChI:
InChI=1S/C7H11NO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h4H,3,8H2,1-2H3
InChI Key:
KHUBACFPTYUTGI-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(N)C(CS1)C
EC Number:
603-030-8
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.23g/mol
Monoisotopic Mass:
173.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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