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3,4-diacetamidobenzoic acid

3,4-diacetamidobenzoic acid

CAS: 205873-56-9

Formula: C11H12N2O4

SMILES: CC(=O)NC1=CC=C(C=C1NC(C)=O)C(O)=O

IUPAC: 3,4-diacetamidobenzoic acid

InChI: InChI=1S/C11H12N2O4/c1-6(14)12-9-4-3-8(11(16)17)5-10(9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17)

Composition: C (55.93%), H (5.12%), N (11.86%), O (27.09%)

Molar Mass: 236.227

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 236.079706874
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey GHTLCMPYQOFKCS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.04
Topological Polar Surface Area 95.5
Polarizability 22.51
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 205873-56-9 $241.50-$289.80$241.50$258.75$289.80
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