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4-(2-{[(benzyloxy)carbonyl]amino}ethyl)benzoic acid

4-(2-{[(benzyloxy)carbonyl]amino}ethyl)benzoic acid

CAS: 121632-81-3

Formula: C17H17NO4

SMILES: OC(=O)C1=CC=C(CCNC(=O)OCC2=CC=CC=C2)C=C1

IUPAC: 4-(2-{[(benzyloxy)carbonyl]amino}ethyl)benzoic acid

InChI: InChI=1S/C17H17NO4/c19-16(20)15-8-6-13(7-9-15)10-11-18-17(21)22-12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,21)(H,19,20)

Composition: C (68.22%), H (5.72%), N (4.68%), O (21.38%)

Molar Mass: 299.326

Atom Count: 39

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 299.115758031
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BMIPQGLSIWHHQW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.22
Topological Polar Surface Area 75.63
Polarizability 31.51
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 121632-81-3 $217.86-$794.75$217.86$358.11$498.36$794.75
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 121632-81-3 $143.75-$2,297.70$143.75$171.35$227.70$343.85$572.70$2,297.70
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