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89100-14-1

89100-14-1 | 2-Octanone, 3-(2-hydroxy-1-methylethylidene)-

CAS No: 89100-14-1 Catalog No: AG003ZMI MDL No:

Product Description

Catalog Number:
AG003ZMI
Chemical Name:
2-Octanone, 3-(2-hydroxy-1-methylethylidene)-
CAS Number:
89100-14-1
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
3-(1-hydroxypropan-2-ylidene)octan-2-one
InChI:
InChI=1S/C11H20O2/c1-4-5-6-7-11(10(3)13)9(2)8-12/h12H,4-8H2,1-3H3
InChI Key:
JIRFPMPAXSGFON-UHFFFAOYSA-N
SMILES:
CCCCCC(=C(CO)C)C(=O)C

Properties

Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.6  

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