Text Search
Structure Search

1-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)propan-1-one

1-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)propan-1-one

Formula: C17H16O3

SMILES: CC1=CC=C(CCC(=O)C2=CC3=C(OCO3)C=C2)C=C1

IUPAC: 1-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenyl)propan-1-one

InChI: InChI=1S/C17H16O3/c1-12-2-4-13(5-3-12)6-8-15(18)14-7-9-16-17(10-14)20-11-19-16/h2-5,7,9-10H,6,8,11H2,1H3

Composition: C (76.10%), H (6.01%), O (17.89%)

Molar Mass: 268.312

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.109944375
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QHVQGUPKZKFPLB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.59
Topological Polar Surface Area 35.53
Polarizability 29.72
Ring Count 3
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Struchem co.,ltd
Supplier Profile
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C17H16O3 $1,301.00-$2,420.00$1,301.00$2,420.00
Request Quote