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1935594-72-1 | 2-(1-methyl-1H-pyrazol-4-yl)oxolane-3-carbaldehyde
CAS No: 1935594-72-1 Catalog No: AG01C7RA MDL No:MFCD31439641
Product Description
Catalog Number:
AG01C7RA
Chemical Name:
2-(1-methyl-1H-pyrazol-4-yl)oxolane-3-carbaldehyde
CAS Number:
1935594-72-1
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD31439641
IUPAC Name:
2-(1-methylpyrazol-4-yl)oxolane-3-carbaldehyde
InChI:
InChI=1S/C9H12N2O2/c1-11-5-8(4-10-11)9-7(6-12)2-3-13-9/h4-7,9H,2-3H2,1H3
InChI Key:
RUTFIYQYMWCDQV-UHFFFAOYSA-N
SMILES:
O=CC1CCOC1c1cnn(c1)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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