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20511-03-9 | 3-Buten-2-one, 4-(3-hydroxyphenyl)-
CAS No: 20511-03-9 Catalog No: AG0029VU MDL No:
Product Description
Catalog Number:
AG0029VU
Chemical Name:
3-Buten-2-one, 4-(3-hydroxyphenyl)-
CAS Number:
20511-03-9
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
4-(3-hydroxyphenyl)but-3-en-2-one
InChI:
InChI=1S/C10H10O2/c1-8(11)5-6-9-3-2-4-10(12)7-9/h2-7,12H,1H3
InChI Key:
BQQMTVHCRIOEDO-UHFFFAOYSA-N
SMILES:
CC(=O)C=Cc1cccc(c1)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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