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3-amino-5-tert-butylbenzoic acid

3-amino-5-tert-butylbenzoic acid

CAS: 885518-35-4

Formula: C11H15NO2

SMILES: CC(C)(C)C1=CC(N)=CC(=C1)C(O)=O

IUPAC: 3-amino-5-tert-butylbenzoic acid

InChI: InChI=1S/C11H15NO2/c1-11(2,3)8-4-7(10(13)14)5-9(12)6-8/h4-6H,12H2,1-3H3,(H,13,14)

Composition: C (68.37%), H (7.82%), N (7.25%), O (16.56%)

Molar Mass: 193.246

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 193.110278727
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZXRVZUJJIBSIIJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.68
Topological Polar Surface Area 63.32
Polarizability 21.08
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 885518-35-4 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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