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Home > Aldehydes > 1339120-68-1
1339120-68-1 | 5-(5-OXO-1,4-DIAZEPAN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1339120-68-1 Catalog No: AG01C8MW MDL No:MFCD20300358
Product Description
Catalog Number:
AG01C8MW
Chemical Name:
5-(5-OXO-1,4-DIAZEPAN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1339120-68-1
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
MDL Number:
MFCD20300358
IUPAC Name:
5-(5-oxo-1,4-diazepan-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H12N2O2S/c13-7-8-1-2-10(15-8)12-5-3-9(14)11-4-6-12/h1-2,7H,3-6H2,(H,11,14)
InChI Key:
RHGDRDJJMBNMGD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CCNC(=O)CC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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