Home Carboxys phenyl 4-oxoazepane-1-carboxylate

phenyl 4-oxoazepane-1-carboxylate

CAS No.:
1798716-06-9
Catalog Number:
AG01BELH
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
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Product Description
Catalog Number:
AG01BELH
Chemical Name:
phenyl 4-oxoazepane-1-carboxylate
CAS Number:
1798716-06-9
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD28064090
IUPAC Name:
phenyl 4-oxoazepane-1-carboxylate
InChI:
InChI=1S/C13H15NO3/c15-11-5-4-9-14(10-8-11)13(16)17-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2
InChI Key:
OYLUXASXYAJKQB-UHFFFAOYSA-N
SMILES:
O=C1CCCN(CC1)C(=O)Oc1ccccc1
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties