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

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

CAS: 205810-04-4

Formula: C16H17NO6

SMILES: CCOC(=O)C1=CC=C(NC=C2C(=O)OC(C)(C)OC2=O)C=C1

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

InChI: InChI=1S/C16H17NO6/c1-4-21-13(18)10-5-7-11(8-6-10)17-9-12-14(19)22-16(2,3)23-15(12)20/h5-9,17H,4H2,1-3H3

Composition: C (60.18%), H (5.37%), N (4.39%), O (30.06%)

Molar Mass: 319.313

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 319.105587271
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZMPTVSZNLHVTRO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.35
Topological Polar Surface Area 90.93
Polarizability 31.26
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 205810-04-4 $217.35-$411.70$217.35$411.70
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Chemcia Scientific, LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 205810-04-4 $155.25-$517.50$155.25$310.50$517.50
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