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Home > Aldehydes > 1889177-67-6
1889177-67-6 | 2-(oxan-4-yl)-1,3-oxazole-5-carbaldehyde
CAS No: 1889177-67-6 Catalog No: AG01EMBM MDL No:MFCD31459855
Product Description
Catalog Number:
AG01EMBM
Chemical Name:
2-(oxan-4-yl)-1,3-oxazole-5-carbaldehyde
CAS Number:
1889177-67-6
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD31459855
IUPAC Name:
2-(oxan-4-yl)-1,3-oxazole-5-carbaldehyde
InChI:
InChI=1S/C9H11NO3/c11-6-8-5-10-9(13-8)7-1-3-12-4-2-7/h5-7H,1-4H2
InChI Key:
CZFRADFGWXLNLF-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(o1)C1CCOCC1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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