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773126-57-1 | 2-Thiophenepropanoicacid, b-amino-4-phenyl-
CAS No: 773126-57-1 Catalog No: AG005CUP MDL No:
Product Description
Catalog Number:
AG005CUP
Chemical Name:
2-Thiophenepropanoicacid, b-amino-4-phenyl-
CAS Number:
773126-57-1
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
IUPAC Name:
3-amino-3-(4-phenylthiophen-2-yl)propanoic acid
InChI:
InChI=1S/C13H13NO2S/c14-11(7-13(15)16)12-6-10(8-17-12)9-4-2-1-3-5-9/h1-6,8,11H,7,14H2,(H,15,16)
InChI Key:
NQAQVJPJEUSZQM-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1scc(c1)c1ccccc1)N
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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