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Home > Aldehydes > 110035-28-4
110035-28-4 | 1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime
CAS No: 110035-28-4 Catalog No: AG007VYB MDL No:MFCD09751234
Product Description
Catalog Number:
AG007VYB
Chemical Name:
1,3-Dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde oxime
CAS Number:
110035-28-4
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD09751234
IUPAC Name:
(NE)-N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C12H13N3O2/c1-9-11(8-13-16)12(15(2)14-9)17-10-6-4-3-5-7-10/h3-8,16H,1-2H3/b13-8+
InChI Key:
AKGVMZJNWXUJBJ-MDWZMJQESA-N
SMILES:
O/N=C/c1c(C)nn(c1Oc1ccccc1)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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