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Home > Aldehydes > 1342788-51-5
1342788-51-5 | 5-(5-OXO-1,4-DIAZEPAN-1-YL)FURAN-2-CARBALDEHYDE
CAS No: 1342788-51-5 Catalog No: AG01C8J5 MDL No:MFCD17269930
Product Description
Catalog Number:
AG01C8J5
Chemical Name:
5-(5-OXO-1,4-DIAZEPAN-1-YL)FURAN-2-CARBALDEHYDE
CAS Number:
1342788-51-5
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD17269930
IUPAC Name:
5-(5-oxo-1,4-diazepan-1-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C10H12N2O3/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:
MVAWIAQYFYRKGO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCNC(=O)CC1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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