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877760-11-7 | 4-Isoxazolecarboxylicacid, 3-propyl-
CAS No: 877760-11-7 Catalog No: AG004KZ0 MDL No:
Product Description
Catalog Number:
AG004KZ0
Chemical Name:
4-Isoxazolecarboxylicacid, 3-propyl-
CAS Number:
877760-11-7
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
IUPAC Name:
3-propyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c1-2-3-6-5(7(9)10)4-11-8-6/h4H,2-3H2,1H3,(H,9,10)
InChI Key:
AJCDULWYVUGNPW-UHFFFAOYSA-N
SMILES:
CCCc1nocc1C(=O)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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