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89037-19-4 | 3-Pentanone, 4-(1-ethoxyethoxy)-1-phenyl-
CAS No: 89037-19-4 Catalog No: AG00428A MDL No:
Product Description
Catalog Number:
AG00428A
Chemical Name:
3-Pentanone, 4-(1-ethoxyethoxy)-1-phenyl-
CAS Number:
89037-19-4
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
4-(1-ethoxyethoxy)-1-phenylpentan-3-one
InChI:
InChI=1S/C15H22O3/c1-4-17-13(3)18-12(2)15(16)11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3
InChI Key:
GBTKVQAWVASJIN-UHFFFAOYSA-N
SMILES:
CCOC(OC(C(=O)CCc1ccccc1)C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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