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123770-62-7 | 3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester
CAS No: 123770-62-7 Catalog No: AG000L1K MDL No:MFCD08273501
Product Description
Catalog Number:
AG000L1K
Chemical Name:
3-Isoxazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester
CAS Number:
123770-62-7
Molecular Formula:
C7H9NO4
Molecular Weight:
171.1507
MDL Number:
MFCD08273501
IUPAC Name:
ethyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C7H9NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h3,9H,2,4H2,1H3
InChI Key:
ZWVVVEYXDQMHGQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(c1)CO
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.152g/mol
Monoisotopic Mass:
171.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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