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89393-20-4

89393-20-4 | 2-Butanone, 4-methoxy-4-[(4-methyl-1,3-cyclohexadien-1-yl)methoxy]-

CAS No: 89393-20-4 Catalog No: AG003WCJ MDL No:

Product Description

Catalog Number:
AG003WCJ
Chemical Name:
2-Butanone, 4-methoxy-4-[(4-methyl-1,3-cyclohexadien-1-yl)methoxy]-
CAS Number:
89393-20-4
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
4-methoxy-4-[(4-methylcyclohexa-1,3-dien-1-yl)methoxy]butan-2-one
InChI:
InChI=1S/C13H20O3/c1-10-4-6-12(7-5-10)9-16-13(15-3)8-11(2)14/h4,6,13H,5,7-9H2,1-3H3
InChI Key:
HHIZRQTUVBVJEV-UHFFFAOYSA-N
SMILES:
COC(CC(=O)C)OCC1=CC=C(CC1)C

Properties

Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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