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131829-50-0 | 2-Thiophenepropanoic acid, β-amino-, (βS)-
CAS No: 131829-50-0 Catalog No: AG000ZSR MDL No:MFCD04113682
Product Description
Catalog Number:
AG000ZSR
Chemical Name:
2-Thiophenepropanoic acid, β-amino-, (βS)-
CAS Number:
131829-50-0
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD04113682
IUPAC Name:
(3S)-3-amino-3-thiophen-2-ylpropanoic acid
InChI:
InChI=1S/C7H9NO2S/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)/t5-/m0/s1
InChI Key:
GYAYLYLPTPXESE-YFKPBYRVSA-N
SMILES:
OC(=O)C[C@@H](c1cccs1)N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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