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20963-51-3 | 3-Buten-2-one, 3-methyl-, oxime
CAS No: 20963-51-3 Catalog No: AG002KCF MDL No:
Product Description
Catalog Number:
AG002KCF
Chemical Name:
3-Buten-2-one, 3-methyl-, oxime
CAS Number:
20963-51-3
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
IUPAC Name:
N-(3-methylbut-3-en-2-ylidene)hydroxylamine
InChI:
InChI=1S/C5H9NO/c1-4(2)5(3)6-7/h7H,1H2,2-3H3
InChI Key:
PTERMXAGTLNYIU-UHFFFAOYSA-N
SMILES:
CC(=NO)C(=C)C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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