Home Carboxys Benzyl 4-hydroxyazepane-1-carboxylate

Benzyl 4-hydroxyazepane-1-carboxylate

CAS No.:
648418-25-1
Catalog Number:
AG00EFTG
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
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Product Description
Catalog Number:
AG00EFTG
Chemical Name:
Benzyl 4-hydroxyazepane-1-carboxylate
CAS Number:
648418-25-1
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD07778596
IUPAC Name:
benzyl 4-hydroxyazepane-1-carboxylate
InChI:
InChI=1S/C14H19NO3/c16-13-7-4-9-15(10-8-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChI Key:
GJXUQWPNVHGPQC-UHFFFAOYSA-N
SMILES:
OC1CCCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties