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89114-44-3

89114-44-3 | 2-Furancarboxaldehyde, 5-(1-hydroxy-1-methylethyl)-, oxime, (Z)-

CAS No: 89114-44-3 Catalog No: AG003Z00 MDL No:

Product Description

Catalog Number:
AG003Z00
Chemical Name:
2-Furancarboxaldehyde, 5-(1-hydroxy-1-methylethyl)-, oxime, (Z)-
CAS Number:
89114-44-3
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
2-[5-(hydroxyiminomethyl)furan-2-yl]propan-2-ol
InChI:
InChI=1S/C8H11NO3/c1-8(2,10)7-4-3-6(12-7)5-9-11/h3-5,10-11H,1-2H3
InChI Key:
ASSSJKJPQWXIOY-UHFFFAOYSA-N
SMILES:
O/N=C\c1ccc(o1)C(O)(C)C

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.8  

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