Home Other Building Blocks 1-(benzyloxy)-3-methylbutan-2-one

1-(benzyloxy)-3-methylbutan-2-one

CAS No.:
113778-75-9
Catalog Number:
AG01AFGP
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
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Product Description
Catalog Number:
AG01AFGP
Chemical Name:
1-(benzyloxy)-3-methylbutan-2-one
CAS Number:
113778-75-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD17292770
IUPAC Name:
3-methyl-1-phenylmethoxybutan-2-one
InChI:
InChI=1S/C12H16O2/c1-10(2)12(13)9-14-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI Key:
NJVKMHMDNRQCDW-UHFFFAOYSA-N
SMILES:
CC(C(=O)COCc1ccccc1)C
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties