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825622-10-4 | 2,3-Butanedione, 1,1-diethoxy-4-phenyl-
CAS No: 825622-10-4 Catalog No: AG005DTM MDL No:
Product Description
Catalog Number:
AG005DTM
Chemical Name:
2,3-Butanedione, 1,1-diethoxy-4-phenyl-
CAS Number:
825622-10-4
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
1,1-diethoxy-4-phenylbutane-2,3-dione
InChI:
InChI=1S/C14H18O4/c1-3-17-14(18-4-2)13(16)12(15)10-11-8-6-5-7-9-11/h5-9,14H,3-4,10H2,1-2H3
InChI Key:
BTABSDYYFVFECU-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)C(=O)Cc1ccccc1)OCC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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