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Home > Aldehydes > 1969287-60-2
1969287-60-2 | rac-(2R,3R)-2-(1-methyl-1H-pyrazol-4-yl)oxolane-3-carbaldehyde, trans
CAS No: 1969287-60-2 Catalog No: AG01B5PA MDL No:MFCD30181789
Product Description
Catalog Number:
AG01B5PA
Chemical Name:
rac-(2R,3R)-2-(1-methyl-1H-pyrazol-4-yl)oxolane-3-carbaldehyde, trans
CAS Number:
1969287-60-2
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD30181789
IUPAC Name:
(2S,3R)-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/t7-,9-/m0/s1
InChI Key:
RUTFIYQYMWCDQV-CBAPKCEASA-N
SMILES:
O=C[C@@H]1CCO[C@H]1c1cnn(c1)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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