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Home > Aldehydes > 1690445-81-8
1690445-81-8 | 4-(3-hydroxy-3-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1690445-81-8 Catalog No: AG01C8OL MDL No:MFCD31443187
Product Description
Catalog Number:
AG01C8OL
Chemical Name:
4-(3-hydroxy-3-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1690445-81-8
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD31443187
IUPAC Name:
4-(3-hydroxy-3-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c1-10(13)2-3-11(7-10)8-4-9(5-12)14-6-8/h4-6,13H,2-3,7H2,1H3
InChI Key:
ZVEVNSTZZHSYEK-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCC(C1)(C)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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