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88794-55-2 | Methanone, [2-hydroxy-4-(3-hydroxypropoxy)phenyl]phenyl-
CAS No: 88794-55-2 Catalog No: AG004CY1 MDL No:
Product Description
Catalog Number:
AG004CY1
Chemical Name:
Methanone, [2-hydroxy-4-(3-hydroxypropoxy)phenyl]phenyl-
CAS Number:
88794-55-2
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
IUPAC Name:
[2-hydroxy-4-(3-hydroxypropoxy)phenyl]-phenylmethanone
InChI:
InChI=1S/C16H16O4/c17-9-4-10-20-13-7-8-14(15(18)11-13)16(19)12-5-2-1-3-6-12/h1-3,5-8,11,17-18H,4,9-10H2
InChI Key:
AGYGLKOVASZVOQ-UHFFFAOYSA-N
SMILES:
OCCCOc1ccc(c(c1)O)C(=O)c1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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