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89029-71-0 | 3-Buten-2-one, 4-(cyclohexylamino)-3-methyl-, (E)-
CAS No: 89029-71-0 Catalog No: AG0042QM MDL No:
Product Description
Catalog Number:
AG0042QM
Chemical Name:
3-Buten-2-one, 4-(cyclohexylamino)-3-methyl-, (E)-
CAS Number:
89029-71-0
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
IUPAC Name:
4-(cyclohexylamino)-3-methylbut-3-en-2-one
InChI:
InChI=1S/C11H19NO/c1-9(10(2)13)8-12-11-6-4-3-5-7-11/h8,11-12H,3-7H2,1-2H3
InChI Key:
IDUMNNMJTPYTPV-UHFFFAOYSA-N
SMILES:
C/C(=C\NC1CCCCC1)/C(=O)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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