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125699-31-2 | 1-Tetradecen-3-one, 1-[3,4-bis(methoxymethoxy)phenyl]-5-hydroxy-
CAS No: 125699-31-2 Catalog No: AG000OI5 MDL No:
Product Description
Catalog Number:
AG000OI5
Chemical Name:
1-Tetradecen-3-one, 1-[3,4-bis(methoxymethoxy)phenyl]-5-hydroxy-
CAS Number:
125699-31-2
Molecular Formula:
C24H38O6
Molecular Weight:
422.5549
IUPAC Name:
1-[3,4-bis(methoxymethoxy)phenyl]-5-hydroxytetradec-1-en-3-one
InChI:
InChI=1S/C24H38O6/c1-4-5-6-7-8-9-10-11-21(25)17-22(26)14-12-20-13-15-23(29-18-27-2)24(16-20)30-19-28-3/h12-16,21,25H,4-11,17-19H2,1-3H3
InChI Key:
XWCFJPORPCZHDG-UHFFFAOYSA-N
SMILES:
COCOc1cc(C=CC(=O)CC(CCCCCCCCC)O)ccc1OCOC
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.267g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.562g/mol
Monoisotopic Mass:
422.267g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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