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1141669-57-9 | 1,4-Oxazepine-2-carboxylic acid, hexahydro-, methyl ester
CAS No: 1141669-57-9 Catalog No: AG000APR MDL No:MFCD11656813
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:
MFCD11656813
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
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