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937796-10-6 | 2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CAS No: 937796-10-6 Catalog No: AG006E5T MDL No:MFCD09863239
Product Description
Catalog Number:
AG006E5T
Chemical Name:
2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CAS Number:
937796-10-6
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD09863239
IUPAC Name:
2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H11N3O/c13-7-8-5-10-9(11-6-8)12-3-1-2-4-12/h5-7H,1-4H2
InChI Key:
KJMKROLYLRRJDN-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N1CCCC1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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