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Home > Aldehydes > 123770-61-6
123770-61-6 | 5-ISOPROPYLISOXAZOLE-3-CARBALDEHYDE
CAS No: 123770-61-6 Catalog No: AG01AOJD MDL No:MFCD15976382
Product Description
Catalog Number:
AG01AOJD
Chemical Name:
5-ISOPROPYLISOXAZOLE-3-CARBALDEHYDE
CAS Number:
123770-61-6
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD15976382
IUPAC Name:
5-propan-2-yl-1,2-oxazole-3-carbaldehyde
InChI:
InChI=1S/C7H9NO2/c1-5(2)7-3-6(4-9)8-10-7/h3-5H,1-2H3
InChI Key:
BLRJQHGOMRISFN-UHFFFAOYSA-N
SMILES:
O=Cc1noc(c1)C(C)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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