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2-(hydroxymethyl)-1,3-oxazole-4-carboxylic acid

2-(hydroxymethyl)-1,3-oxazole-4-carboxylic acid

CAS: 1240607-91-3

Formula: C5H5NO4

SMILES: OCC1=NC(=CO1)C(O)=O

IUPAC: 2-(hydroxymethyl)-1,3-oxazole-4-carboxylic acid

InChI: InChI=1S/C5H5NO4/c7-1-4-6-3(2-10-4)5(8)9/h2,7H,1H2,(H,8,9)

Composition: C (41.97%), H (3.52%), N (9.79%), O (44.72%)

Molar Mass: 143.098

Atom Count: 15

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 143.021857645
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NUJUMFRWMDHCDX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.79
Topological Polar Surface Area 83.56
Polarizability 11.38
Ring Count 1
Rotatable Bond Count 2

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96% <2 Days 1240607-91-3 $286.35-$6,762.00$286.35$457.70$687.70$1,147.70$1,817.00$6,762.00
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