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89991-38-8 | 4,5-Isoxazoledipropanal, 3-methyl-
CAS No: 89991-38-8 Catalog No: AG006MIH MDL No:
Product Description
Catalog Number:
AG006MIH
Chemical Name:
4,5-Isoxazoledipropanal, 3-methyl-
CAS Number:
89991-38-8
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
3-[3-methyl-5-(3-oxopropyl)-1,2-oxazol-4-yl]propanal
InChI:
InChI=1S/C10H13NO3/c1-8-9(4-2-6-12)10(14-11-8)5-3-7-13/h6-7H,2-5H2,1H3
InChI Key:
ACNCQKZICGUNFJ-UHFFFAOYSA-N
SMILES:
O=CCCc1c(CCC=O)onc1C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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