Home Carboxys 1,4-Oxazepine-2-carboxylic acid, hexahydro-, methyl ester

1,4-Oxazepine-2-carboxylic acid, hexahydro-, methyl ester

CAS No.:
1141669-57-9
Catalog Number:
AG000APR
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000APR
Chemical Name:
1,4-Oxazepine-2-carboxylic acid, hexahydro-, methyl ester
CAS Number:
1141669-57-9
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
MDL Number:
MFCD26383561
IUPAC Name:
methyl 1,4-oxazepane-2-carboxylate
InChI:
InChI=1S/C7H13NO3/c1-10-7(9)6-5-8-3-2-4-11-6/h6,8H,2-5H2,1H3
InChI Key:
NXIGDQYWERITIA-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCCCO1
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties