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55456-46-7 | (2S)-2-(Hydroxymethyl)pyrrolidine-1-carbaldehyde
CAS No: 55456-46-7 Catalog No: AG01EWG0 MDL No:
Product Description
Catalog Number:
AG01EWG0
Chemical Name:
(2S)-2-(Hydroxymethyl)pyrrolidine-1-carbaldehyde
CAS Number:
55456-46-7
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
IUPAC Name:
(2S)-2-(hydroxymethyl)pyrrolidine-1-carbaldehyde
InChI:
InChI=1S/C6H11NO2/c8-4-6-2-1-3-7(6)5-9/h5-6,8H,1-4H2/t6-/m0/s1
InChI Key:
MIUQKALRYUVKGS-LURJTMIESA-N
SMILES:
OC[C@@H]1CCCN1C=O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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