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3-methoxy-4-{[(2-methylphenyl)carbamoyl]methoxy}benzoic acid

3-methoxy-4-{[(2-methylphenyl)carbamoyl]methoxy}benzoic acid

CAS: 832686-80-3

Formula: C17H17NO5

SMILES: COC1=CC(=CC=C1OCC(=O)NC1=CC=CC=C1C)C(O)=O

IUPAC: 3-methoxy-4-{[(2-methylphenyl)carbamoyl]methoxy}benzoic acid

InChI: InChI=1S/C17H17NO5/c1-11-5-3-4-6-13(11)18-16(19)10-23-14-8-7-12(17(20)21)9-15(14)22-2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)

Composition: C (64.75%), H (5.43%), N (4.44%), O (25.37%)

Molar Mass: 315.325

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 315.110672651
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey ZVTICLOIQCHKDP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.64
Topological Polar Surface Area 84.86
Polarizability 32.12
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 832686-80-3 $65.00$65.00
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