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Home > Other Heterocycles > 88304-29-4
88304-29-4 | Formamide, N-[2-(5-oxo-7-oxabicyclo[4.1.0]hept-1-yl)ethyl]-
CAS No: 88304-29-4 Catalog No: AG0048N8 MDL No:MFCD20677542
Product Description
Catalog Number:
AG0048N8
Chemical Name:
Formamide, N-[2-(5-oxo-7-oxabicyclo[4.1.0]hept-1-yl)ethyl]-
CAS Number:
88304-29-4
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD20677542
IUPAC Name:
N-[2-(5-oxo-7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]formamide
InChI:
InChI=1S/C9H13NO3/c11-6-10-5-4-9-3-1-2-7(12)8(9)13-9/h6,8H,1-5H2,(H,10,11)
InChI Key:
PZAIHWJPUZDEQC-UHFFFAOYSA-N
SMILES:
O=CNCCC12CCCC(=O)C2O1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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