Text Search
Structure Search

2-(3-benzoylphenyl)(3,3,3-²H?)propanoic acid

2-(3-benzoylphenyl)(3,3,3-²H?)propanoic acid

CAS: 159490-55-8

Formula: C16H14O3

SMILES: [2H]C([2H])([2H])C(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1

IUPAC: 2-(3-benzoylphenyl)(3,3,3-²H?)propanoic acid

InChI: InChI=1/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/i1D3

Composition: C (74.69%), H (4.31%), [2H] (2.35%), O (18.65%)

Molar Mass: 257.303

Atom Count: 33

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 257.113124549
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DKYWVDODHFEZIM-FIBGUPNXNA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.52
Topological Polar Surface Area 54.37
Polarizability 28.01
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 159490-55-8 $138.72-$1,108.74$138.72$1,108.74
Request Quote