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2-(methoxycarbonyl)-1,3-oxazole-5-carboxylic acid

2-(methoxycarbonyl)-1,3-oxazole-5-carboxylic acid

CAS: 2386140-81-2

Formula: C6H5NO5

SMILES: COC(=O)C1=NC=C(O1)C(O)=O

IUPAC: 2-(methoxycarbonyl)-1,3-oxazole-5-carboxylic acid

InChI: InChI=1S/C6H5NO5/c1-11-6(10)4-7-2-3(12-4)5(8)9/h2H,1H3,(H,8,9)

Composition: C (42.12%), H (2.95%), N (8.19%), O (46.75%)

Molar Mass: 171.108

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.016772265
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QATOJVFKVPMMSW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.4
Topological Polar Surface Area 89.63
Polarizability 13.44
Ring Count 1
Rotatable Bond Count 3

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96% <2 Days 2386140-81-2 $1,817.00-$3,047.50$1,817.00$3,047.50$11,362.00
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