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Home > Aldehydes > 1339745-70-8
1339745-70-8 | 5-(3-HYDROXYPYRROLIDIN-1-YL)-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 1339745-70-8 Catalog No: AG01C8O3 MDL No:MFCD17249353
Product Description
Catalog Number:
AG01C8O3
Chemical Name:
5-(3-HYDROXYPYRROLIDIN-1-YL)-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
1339745-70-8
Molecular Formula:
C10H15N3O2
Molecular Weight:
209.2450
MDL Number:
MFCD17249353
IUPAC Name:
5-(3-hydroxypyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H15N3O2/c1-7-9(6-14)10(12(2)11-7)13-4-3-8(15)5-13/h6,8,15H,3-5H2,1-2H3
InChI Key:
AUDSKKARFQAGTP-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N1CCC(C1)O)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.249g/mol
Monoisotopic Mass:
209.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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