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882624-61-5 | 3-(3-Isopropoxy-isoxazol-5-yl)-propionic acid
CAS No: 882624-61-5 Catalog No: AG01EY67 MDL No:
Product Description
Catalog Number:
AG01EY67
Chemical Name:
3-(3-Isopropoxy-isoxazol-5-yl)-propionic acid
CAS Number:
882624-61-5
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
IUPAC Name:
3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid
InChI:
InChI=1S/C9H13NO4/c1-6(2)13-8-5-7(14-10-8)3-4-9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)
InChI Key:
DNEJAQNUBWVFHS-UHFFFAOYSA-N
SMILES:
CC(Oc1noc(c1)CCC(=O)O)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.206g/mol
Monoisotopic Mass:
199.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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