Home Carboxys Benzyl 3-hydroxy-3-methylazepane-1-carboxylate

Benzyl 3-hydroxy-3-methylazepane-1-carboxylate

CAS No.:
1801454-25-0
Catalog Number:
AG00I00H
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
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Product Description
Catalog Number:
AG00I00H
Chemical Name:
Benzyl 3-hydroxy-3-methylazepane-1-carboxylate
CAS Number:
1801454-25-0
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
MDL Number:
MFCD27997519
IUPAC Name:
benzyl 3-hydroxy-3-methylazepane-1-carboxylate
InChI:
InChI=1S/C15H21NO3/c1-15(18)9-5-6-10-16(12-15)14(17)19-11-13-7-3-2-4-8-13/h2-4,7-8,18H,5-6,9-12H2,1H3
InChI Key:
VRURZGYOOPPNNT-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC(C1)(C)O)OCc1ccccc1
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties