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4-{[(tert-butoxycarbonyl)amino]methyl}benzene-1,2-dicarboxylic acid

4-{[(tert-butoxycarbonyl)amino]methyl}benzene-1,2-dicarboxylic acid

CAS: 675139-09-0

Formula: C14H17NO6

SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C(O)=O)C(=C1)C(O)=O

IUPAC: 4-({[(tert-butoxy)carbonyl]amino}methyl)benzene-1,2-dicarboxylic acid

InChI: InChI=1S/C14H17NO6/c1-14(2,3)21-13(20)15-7-8-4-5-9(11(16)17)10(6-8)12(18)19/h4-6H,7H2,1-3H3,(H,15,20)(H,16,17)(H,18,19)

Composition: C (56.95%), H (5.80%), N (4.74%), O (32.51%)

Molar Mass: 295.291

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 295.105587271
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey YRCKETVGEDEDTC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.92
Topological Polar Surface Area 112.93
Polarizability 28.07
Ring Count 1
Rotatable Bond Count 6

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 675139-09-0 $233.28-$543.36$233.28$344.64$543.36
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