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124845-04-1 | 4-Isoxazolecarboxylic acid, 5-cyclopropyl-
CAS No: 124845-04-1 Catalog No: AG000MT7 MDL No:MFCD06798100
Product Description
Catalog Number:
AG000MT7
Chemical Name:
4-Isoxazolecarboxylic acid, 5-cyclopropyl-
CAS Number:
124845-04-1
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD06798100
IUPAC Name:
5-cyclopropyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c9-7(10)5-3-8-11-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChI Key:
KIJMAOMSRMPYIY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnoc1C1CC1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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