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141342-37-2 | 2-Butanone, 4-[4-[[5-(1,3-dioxolan-2-yl)pentyl]oxy]phenyl]-
CAS No: 141342-37-2 Catalog No: AG001G9W MDL No:
Product Description
Catalog Number:
AG001G9W
Chemical Name:
2-Butanone, 4-[4-[[5-(1,3-dioxolan-2-yl)pentyl]oxy]phenyl]-
CAS Number:
141342-37-2
Molecular Formula:
C18H26O4
Molecular Weight:
306.3966
IUPAC Name:
4-[4-[5-(1,3-dioxolan-2-yl)pentoxy]phenyl]butan-2-one
InChI:
InChI=1S/C18H26O4/c1-15(19)6-7-16-8-10-17(11-9-16)20-12-4-2-3-5-18-21-13-14-22-18/h8-11,18H,2-7,12-14H2,1H3
InChI Key:
KOQTUPZEOALZMZ-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1ccc(cc1)OCCCCCC1OCCO1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.402g/mol
Monoisotopic Mass:
306.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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