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1871064-61-7

1871064-61-7 | 5-(4-hydroxyazepan-1-yl)thiophene-2-carbaldehyde

CAS No: 1871064-61-7 Catalog No: AG01C8SR MDL No:MFCD31443237

Product Description

Catalog Number:
AG01C8SR
Chemical Name:
5-(4-hydroxyazepan-1-yl)thiophene-2-carbaldehyde
CAS Number:
1871064-61-7
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD31443237
IUPAC Name:
5-(4-hydroxyazepan-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c13-8-10-3-4-11(15-10)12-6-1-2-9(14)5-7-12/h3-4,8-9,14H,1-2,5-7H2
InChI Key:
IGUHMLGNWXFMAW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CCCC(CC1)O

Properties

Complexity:
225  
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:
2  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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