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69706-18-9 | 1-Butanone, 3-methoxy-1-(4-methoxyphenyl)-
CAS No: 69706-18-9 Catalog No: AG005IVL MDL No:
Product Description
Catalog Number:
AG005IVL
Chemical Name:
1-Butanone, 3-methoxy-1-(4-methoxyphenyl)-
CAS Number:
69706-18-9
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
3-methoxy-1-(4-methoxyphenyl)butan-1-one
InChI:
InChI=1S/C12H16O3/c1-9(14-2)8-12(13)10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3
InChI Key:
KUBGJBQPUOLZOL-UHFFFAOYSA-N
SMILES:
COC(CC(=O)c1ccc(cc1)OC)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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