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101499-01-8 | Cyclohexanone, 2-[(3,4-dimethoxyphenyl)methyl]-
CAS No: 101499-01-8 Catalog No: AG0004MO MDL No:
Product Description
Catalog Number:
AG0004MO
Chemical Name:
Cyclohexanone, 2-[(3,4-dimethoxyphenyl)methyl]-
CAS Number:
101499-01-8
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
2-[(3,4-dimethoxyphenyl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C15H20O3/c1-17-14-8-7-11(10-15(14)18-2)9-12-5-3-4-6-13(12)16/h7-8,10,12H,3-6,9H2,1-2H3
InChI Key:
FCMWTIXAWXKXDS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC1CCCCC1=O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.322g/mol
Monoisotopic Mass:
248.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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