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89007-03-4 | 4-Oxazolecarboxylic acid, 5-pentyl-
CAS No: 89007-03-4 Catalog No: AG0044UF MDL No:
Product Description
Catalog Number:
AG0044UF
Chemical Name:
4-Oxazolecarboxylic acid, 5-pentyl-
CAS Number:
89007-03-4
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
5-pentyl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C9H13NO3/c1-2-3-4-5-7-8(9(11)12)10-6-13-7/h6H,2-5H2,1H3,(H,11,12)
InChI Key:
LQFQGNMSWOHLCU-UHFFFAOYSA-N
SMILES:
CCCCCc1ocnc1C(=O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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