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191655-19-3 | 2-Oxazolepentanoic acid, 4,5-dihydro-, methyl ester
CAS No: 191655-19-3 Catalog No: AG002FEA MDL No:
Product Description
Catalog Number:
AG002FEA
Chemical Name:
2-Oxazolepentanoic acid, 4,5-dihydro-, methyl ester
CAS Number:
191655-19-3
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
methyl 5-(4,5-dihydro-1,3-oxazol-2-yl)pentanoate
InChI:
InChI=1S/C9H15NO3/c1-12-9(11)5-3-2-4-8-10-6-7-13-8/h2-7H2,1H3
InChI Key:
NNKHPULWRGNPNR-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC1=NCCO1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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