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ethyl 2-(hydroxymethyl)-1,3-oxazole-4-carboxylate

ethyl 2-(hydroxymethyl)-1,3-oxazole-4-carboxylate

CAS: 181633-67-0

Formula: C7H9NO4

SMILES: CCOC(=O)C1=COC(CO)=N1

IUPAC: ethyl 2-(hydroxymethyl)-1,3-oxazole-4-carboxylate

InChI: InChI=1S/C7H9NO4/c1-2-11-7(10)5-4-12-6(3-9)8-5/h4,9H,2-3H2,1H3

Composition: C (49.12%), H (5.30%), N (8.18%), O (37.39%)

Molar Mass: 171.152

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.053157774
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XFHCOHUKXSKKDJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.31
Topological Polar Surface Area 72.56
Polarizability 15.2
Ring Count 1
Rotatable Bond Count 4

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96% <2 Days 181633-67-0 $286.35-$6,762.00$286.35$457.70$687.70$1,127.00$1,817.00$6,762.00
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