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Home > Aldehydes > 1856503-63-3
1856503-63-3 | 5-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS No: 1856503-63-3 Catalog No: AG01C8VB MDL No:MFCD31443315
Product Description
Catalog Number:
AG01C8VB
Chemical Name:
5-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
CAS Number:
1856503-63-3
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD31443315
IUPAC Name:
5-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-8-9(6-13)4-5-12(8)11-3-2-10(7-14)15-11/h2-3,7-9,13H,4-6H2,1H3
InChI Key:
WSSQVVNYHAUPQD-UHFFFAOYSA-N
SMILES:
CC1C(CO)CCN1c1ccc(s1)C=O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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