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2552-53-6 | 3-(benzyloxy)isoxazole-5-carbaldehyde
CAS No: 2552-53-6 Catalog No: AG00BG48 MDL No:MFCD14706681
Product Description
Catalog Number:
AG00BG48
Chemical Name:
3-(benzyloxy)isoxazole-5-carbaldehyde
CAS Number:
2552-53-6
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD14706681
IUPAC Name:
3-phenylmethoxy-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C11H9NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
URPLDQSNOHMLIP-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1)OCc1ccccc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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