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140660-42-0 | 2-Buten-1-one, 1-(2,5-dihydroxyphenyl)-
CAS No: 140660-42-0 Catalog No: AG001CNX MDL No:
Product Description
Catalog Number:
AG001CNX
Chemical Name:
2-Buten-1-one, 1-(2,5-dihydroxyphenyl)-
CAS Number:
140660-42-0
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
1-(2,5-dihydroxyphenyl)but-2-en-1-one
InChI:
InChI=1S/C10H10O3/c1-2-3-9(12)8-6-7(11)4-5-10(8)13/h2-6,11,13H,1H3
InChI Key:
TVMDIMUXIMGXSL-UHFFFAOYSA-N
SMILES:
CC=CC(=O)c1cc(O)ccc1O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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