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89029-96-9 | 1-Hepten-3-one, 1-(cyclohexylamino)-2-methyl-, (Z)-
CAS No: 89029-96-9 Catalog No: AG004425 MDL No:
Product Description
Catalog Number:
AG004425
Chemical Name:
1-Hepten-3-one, 1-(cyclohexylamino)-2-methyl-, (Z)-
CAS Number:
89029-96-9
Molecular Formula:
C14H25NO
Molecular Weight:
223.3544
IUPAC Name:
1-(cyclohexylamino)-2-methylhept-1-en-3-one
InChI:
InChI=1S/C14H25NO/c1-3-4-10-14(16)12(2)11-15-13-8-6-5-7-9-13/h11,13,15H,3-10H2,1-2H3
InChI Key:
KOTMIHGWVAPRLG-UHFFFAOYSA-N
SMILES:
CCCCC(=O)/C(=C\NC1CCCCC1)/C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.194g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.36g/mol
Monoisotopic Mass:
223.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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