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144309-99-9 | 3-Cyclohexen-1-one, 4-[(phenylmethoxy)methyl]-
CAS No: 144309-99-9 Catalog No: AG001JB9 MDL No:
Product Description
Catalog Number:
AG001JB9
Chemical Name:
3-Cyclohexen-1-one, 4-[(phenylmethoxy)methyl]-
CAS Number:
144309-99-9
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
4-(phenylmethoxymethyl)cyclohex-3-en-1-one
InChI:
InChI=1S/C14H16O2/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-6H,7-11H2
InChI Key:
TZHUUURMDGRBDI-UHFFFAOYSA-N
SMILES:
O=C1CCC(=CC1)COCc1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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