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89114-38-5 | 2-Furancarboxaldehyde, 5-butyl-, oxime, (Z)-
CAS No: 89114-38-5 Catalog No: AG003ZQZ MDL No:
Product Description
Catalog Number:
AG003ZQZ
Chemical Name:
2-Furancarboxaldehyde, 5-butyl-, oxime, (Z)-
CAS Number:
89114-38-5
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
N-[(5-butylfuran-2-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C9H13NO2/c1-2-3-4-8-5-6-9(12-8)7-10-11/h5-7,11H,2-4H2,1H3
InChI Key:
LTRJBVCTDYGREB-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(o1)/C=N\O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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