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1707735-24-7 | 1-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carbaldehyde
CAS No: 1707735-24-7 Catalog No: AG01BXSU MDL No:MFCD27940415
Product Description
Catalog Number:
AG01BXSU
Chemical Name:
1-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carbaldehyde
CAS Number:
1707735-24-7
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD27940415
IUPAC Name:
1-(1-methylpyrazol-4-yl)pyrrolidine-3-carbaldehyde
InChI:
InChI=1S/C9H13N3O/c1-11-6-9(4-10-11)12-3-2-8(5-12)7-13/h4,6-8H,2-3,5H2,1H3
InChI Key:
KUTXRPAXMNSPCO-UHFFFAOYSA-N
SMILES:
O=CC1CCN(C1)c1cnn(c1)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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