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85808-02-2 | 3-Cyclohexen-1-one, 5-(hydroxymethyl)-4-[2-(phenylmethoxy)ethyl]-
CAS No: 85808-02-2 Catalog No: AG004OGP MDL No:
Product Description
Catalog Number:
AG004OGP
Chemical Name:
3-Cyclohexen-1-one, 5-(hydroxymethyl)-4-[2-(phenylmethoxy)ethyl]-
CAS Number:
85808-02-2
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
5-(hydroxymethyl)-4-(2-phenylmethoxyethyl)cyclohex-3-en-1-one
InChI:
InChI=1S/C16H20O3/c17-11-15-10-16(18)7-6-14(15)8-9-19-12-13-4-2-1-3-5-13/h1-6,15,17H,7-12H2
InChI Key:
SUBFDGNIWARFOF-UHFFFAOYSA-N
SMILES:
OCC1CC(=O)CC=C1CCOCc1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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