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2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}benzoic acid

2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}benzoic acid

Formula: C17H15NO5

SMILES: CCOC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2C(O)=O)C=C1

IUPAC: 2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}benzoic acid

InChI: InChI=1S/C17H15NO5/c1-2-23-17(22)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)16(20)21/h3-10H,2H2,1H3,(H,18,19)(H,20,21)

Composition: C (65.17%), H (4.83%), N (4.47%), O (25.53%)

Molar Mass: 313.309

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 313.095022587
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZVODFTAXUYDEDQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.62
Topological Polar Surface Area 92.7
Polarizability 31.56
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
OTAVA LTD.
Purity LeadTime Formula PacketSize UnitPrice
95% <10 Days C17H15NO5 $162.27$162.27
MFCD00090074
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