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829-44-7 | 3-hydroxy-1-(4-hydroxyphenyl)butan-1-one
CAS No: 829-44-7 Catalog No: AG005499 MDL No:
Product Description
Catalog Number:
AG005499
Chemical Name:
3-hydroxy-1-(4-hydroxyphenyl)butan-1-one
CAS Number:
829-44-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
3-hydroxy-1-(4-hydroxyphenyl)butan-1-one
InChI:
InChI=1S/C10H12O3/c1-7(11)6-10(13)8-2-4-9(12)5-3-8/h2-5,7,11-12H,6H2,1H3
InChI Key:
VYNGWEOWCIYIDW-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccc(cc1)O)O
NSC Number:
91510
Properties
Complexity:
171
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:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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