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4-({[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}methyl)benzoic acid

4-({[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}methyl)benzoic acid

CAS: 497060-16-9

Formula: C15H15NO6

SMILES: CC1(C)OC(=O)C(=CNCC2=CC=C(C=C2)C(O)=O)C(=O)O1

IUPAC: 4-({[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}methyl)benzoic acid

InChI: InChI=1S/C15H15NO6/c1-15(2)21-13(19)11(14(20)22-15)8-16-7-9-3-5-10(6-4-9)12(17)18/h3-6,8,16H,7H2,1-2H3,(H,17,18)

Composition: C (59.02%), H (4.95%), N (4.59%), O (31.44%)

Molar Mass: 305.286

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 305.089937207
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey QPBKTCPUVGQYHQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.89
Topological Polar Surface Area 101.93
Polarizability 29.19
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 497060-16-9 $51.35-$524.40$51.35$63.37$86.31$524.40
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