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Home > Aldehydes > 1566831-11-5
1566831-11-5 | 4-(3-OXO-1,4-DIAZEPAN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1566831-11-5 Catalog No: AG01C8P8 MDL No:MFCD26866516
Product Description
Catalog Number:
AG01C8P8
Chemical Name:
4-(3-OXO-1,4-DIAZEPAN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1566831-11-5
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
MDL Number:
MFCD26866516
IUPAC Name:
4-(3-oxo-1,4-diazepan-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H12N2O2S/c13-6-9-4-8(7-15-9)12-3-1-2-11-10(14)5-12/h4,6-7H,1-3,5H2,(H,11,14)
InChI Key:
AFFAOECRACHVQD-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCCNC(=O)C1
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:
1
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