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1490258-72-4 | 5-(3-OXO-1,4-DIAZEPAN-1-YL)FURAN-2-CARBALDEHYDE
CAS No: 1490258-72-4 Catalog No: AG01C8J2 MDL No:MFCD21222762
Product Description
Catalog Number:
AG01C8J2
Chemical Name:
5-(3-OXO-1,4-DIAZEPAN-1-YL)FURAN-2-CARBALDEHYDE
CAS Number:
1490258-72-4
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD21222762
IUPAC Name:
5-(3-oxo-1,4-diazepan-1-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C10H12N2O3/c13-7-8-2-3-10(15-8)12-5-1-4-11-9(14)6-12/h2-3,7H,1,4-6H2,(H,11,14)
InChI Key:
YYJMWGSSHQEBSQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CCCNC(=O)C1
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:
0.7
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