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2-tert-butyl-1,3-oxazole-4-carboxylic acid

2-tert-butyl-1,3-oxazole-4-carboxylic acid

CAS: 1060816-08-1

Formula: C8H11NO3

SMILES: CC(C)(C)C1=NC(=CO1)C(O)=O

IUPAC: 2-tert-butyl-1,3-oxazole-4-carboxylic acid

InChI: InChI=1S/C8H11NO3/c1-8(2,3)7-9-5(4-12-7)6(10)11/h4H,1-3H3,(H,10,11)

Composition: C (56.80%), H (6.55%), N (8.28%), O (28.37%)

Molar Mass: 169.18

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 169.073893218
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GVWUJKRGBRORLJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.79
Topological Polar Surface Area 63.33
Polarizability 16.02
Ring Count 1
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1060816-08-1 $1,760.00-$3,124.00$1,760.00$2,310.00$3,124.00
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J&W PHARMLAB LLC
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1060816-08-1 $157.55-$2,748.50$157.55$201.25$286.35$457.70$687.70$2,748.50
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