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101493-87-2 | 1-Octanone, 1-(2,5-dimethylphenyl)-
CAS No: 101493-87-2 Catalog No: AG0004MB MDL No:
Product Description
Catalog Number:
AG0004MB
Chemical Name:
1-Octanone, 1-(2,5-dimethylphenyl)-
CAS Number:
101493-87-2
Molecular Formula:
C16H24O
Molecular Weight:
232.3612
IUPAC Name:
1-(2,5-dimethylphenyl)octan-1-one
InChI:
InChI=1S/C16H24O/c1-4-5-6-7-8-9-16(17)15-12-13(2)10-11-14(15)3/h10-12H,4-9H2,1-3H3
InChI Key:
YRZAXHOEVLZSGV-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)c1cc(C)ccc1C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.367g/mol
Monoisotopic Mass:
232.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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