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1597123-97-1 | 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde
CAS No: 1597123-97-1 Catalog No: AG01C8KK MDL No:MFCD31443146
Product Description
Catalog Number:
AG01C8KK
Chemical Name:
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde
CAS Number:
1597123-97-1
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD31443146
IUPAC Name:
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]furan-2-carbaldehyde
InChI:
InChI=1S/C11H15NO3/c1-8-4-5-12(10(8)7-14)11-3-2-9(6-13)15-11/h2-3,6,8,10,14H,4-5,7H2,1H3
InChI Key:
WGXNUFYDJXUTST-UHFFFAOYSA-N
SMILES:
CC1CCN(C1CO)c1ccc(o1)C=O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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