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100959-30-6 | Benzaldehyde, 4-(hydroxymethyl)-, oxime
CAS No: 100959-30-6 Catalog No: AG0003AL MDL No:
Product Description
Catalog Number:
AG0003AL
Chemical Name:
Benzaldehyde, 4-(hydroxymethyl)-, oxime
CAS Number:
100959-30-6
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
[4-(hydroxyiminomethyl)phenyl]methanol
InChI:
InChI=1S/C8H9NO2/c10-6-8-3-1-7(2-4-8)5-9-11/h1-5,10-11H,6H2
InChI Key:
DTMHHXCNEAGIRG-UHFFFAOYSA-N
SMILES:
ON=Cc1ccc(cc1)CO
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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