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131829-49-7

131829-49-7 | 2-Furanpropanoic acid, β-amino-, (βS)-

CAS No: 131829-49-7 Catalog No: AG000ZSS MDL No:MFCD04117828

Product Description

Catalog Number:
AG000ZSS
Chemical Name:
2-Furanpropanoic acid, β-amino-, (βS)-
CAS Number:
131829-49-7
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD04117828
IUPAC Name:
(3S)-3-amino-3-(furan-2-yl)propanoic acid
InChI:
InChI=1S/C7H9NO3/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:
YIKVKIOGYSPIMP-YFKPBYRVSA-N
SMILES:
OC(=O)C[C@@H](c1ccco1)N

Properties

Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9  

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