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1353955-10-8 | 1-Methyl-pyrrolidine-3-carbaldehyde
CAS No: 1353955-10-8 Catalog No: AG01ESG9 MDL No:
Product Description
Catalog Number:
AG01ESG9
Chemical Name:
1-Methyl-pyrrolidine-3-carbaldehyde
CAS Number:
1353955-10-8
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
1-methylpyrrolidine-3-carbaldehyde
InChI:
InChI=1S/C6H11NO/c1-7-3-2-6(4-7)5-8/h5-6H,2-4H2,1H3
InChI Key:
SZCSQMWKHQABGW-UHFFFAOYSA-N
SMILES:
O=CC1CCN(C1)C
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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