Home Aminos 3-amino-3-(thiophen-3-yl)propanoic acid

3-amino-3-(thiophen-3-yl)propanoic acid

CAS No.:
94333-62-7
Catalog Number:
AG00ISH2
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
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Product Description
Catalog Number:
AG00ISH2
Chemical Name:
3-amino-3-(thiophen-3-yl)propanoic acid
CAS Number:
94333-62-7
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD00152179
IUPAC Name:
3-amino-3-thiophen-3-ylpropanoic acid
InChI:
InChI=1S/C7H9NO2S/c8-6(3-7(9)10)5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)
InChI Key:
UPDVATYZQLTZOZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cscc1)N
EC Number:
305-042-6
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  
Properties