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89849-55-8 | 5-Hexen-2-one, 3-methyl-6-phenyl-, oxime, (Z,E)-
CAS No: 89849-55-8 Catalog No: AG003YQO MDL No:
Product Description
Catalog Number:
AG003YQO
Chemical Name:
5-Hexen-2-one, 3-methyl-6-phenyl-, oxime, (Z,E)-
CAS Number:
89849-55-8
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
N-(3-methyl-6-phenylhex-5-en-2-ylidene)hydroxylamine
InChI:
InChI=1S/C13H17NO/c1-11(12(2)14-15)7-6-10-13-8-4-3-5-9-13/h3-6,8-11,15H,7H2,1-2H3
InChI Key:
KIPIOUCEZDDVLM-UHFFFAOYSA-N
SMILES:
CC(/C(=N/O)/C)C/C=C\c1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
3.3
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