Home Other Building Blocks (2S)-2-(furan-2-ylformamido)propanoic acid

(2S)-2-(furan-2-ylformamido)propanoic acid

CAS No.:
462599-69-5
Catalog Number:
AG019QE8
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG019QE8
Chemical Name:
(2S)-2-(furan-2-ylformamido)propanoic acid
CAS Number:
462599-69-5
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD09088787
IUPAC Name:
(2S)-2-(furan-2-carbonylamino)propanoic acid
InChI:
InChI=1S/C8H9NO4/c1-5(8(11)12)9-7(10)6-3-2-4-13-6/h2-5H,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChI Key:
VNYWJRJEGHPIQW-YFKPBYRVSA-N
SMILES:
OC(=O)[C@@H](NC(=O)c1ccco1)C
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties