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113425-33-5 | 1-Butanone, 4-hydroxy-1-(4-hydroxyphenyl)-
CAS No: 113425-33-5 Catalog No: AG0008IZ MDL No:
Product Description
Catalog Number:
AG0008IZ
Chemical Name:
1-Butanone, 4-hydroxy-1-(4-hydroxyphenyl)-
CAS Number:
113425-33-5
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
4-hydroxy-1-(4-hydroxyphenyl)butan-1-one
InChI:
InChI=1S/C10H12O3/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6,11-12H,1-2,7H2
InChI Key:
FYEXNTHRDSRUBF-UHFFFAOYSA-N
SMILES:
OCCCC(=O)c1ccc(cc1)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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