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72490-40-5 | 1,2-Propanedione, 1-[4-(2-hydroxyethoxy)phenyl]-
CAS No: 72490-40-5 Catalog No: AG005GY2 MDL No:
Product Description
Catalog Number:
AG005GY2
Chemical Name:
1,2-Propanedione, 1-[4-(2-hydroxyethoxy)phenyl]-
CAS Number:
72490-40-5
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
1-[4-(2-hydroxyethoxy)phenyl]propane-1,2-dione
InChI:
InChI=1S/C11H12O4/c1-8(13)11(14)9-2-4-10(5-3-9)15-7-6-12/h2-5,12H,6-7H2,1H3
InChI Key:
NNPPZOOEIJGCMV-UHFFFAOYSA-N
SMILES:
OCCOc1ccc(cc1)C(=O)C(=O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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