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19152-39-7 | 2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)-
CAS No: 19152-39-7 Catalog No: AG002FA1 MDL No:MFCD00076038
Product Description
Catalog Number:
AG002FA1
Chemical Name:
2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)-
CAS Number:
19152-39-7
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
MDL Number:
MFCD00076038
IUPAC Name:
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H12O4/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2/b7-1+
InChI Key:
AZEHEBLLFINCCX-LREOWRDNSA-N
SMILES:
Oc1ccc(cc1)C(=O)C=Cc1ccc2c(c1)OCO2
NSC Number:
667227
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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