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BMS-538203

CAS No.:
543730-41-2
Catalog Number:
AG00DB58
Molecular Formula:
C12H12FNO5
Molecular Weight:
269.2258
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Product Description
Catalog Number:
AG00DB58
Chemical Name:
BMS-538203
CAS Number:
543730-41-2
Molecular Formula:
C12H12FNO5
Molecular Weight:
269.2258
IUPAC Name:
(Z)-4-[(4-fluorophenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
InChI:
InChI=1S/C12H12FNO5/c1-19-14(11(16)6-10(15)12(17)18)7-8-2-4-9(13)5-3-8/h2-6,15H,7H2,1H3,(H,17,18)/b10-6-
InChI Key:
GACIOSIZKMLELV-POHAHGRESA-N
SMILES:
CON(C(=O)/C=C(/C(=O)O)\O)Cc1ccc(cc1)F
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
269.07g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.228g/mol
Monoisotopic Mass:
269.07g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties