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1259065-07-0 | 1H-Azepine-1,4-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) 4-methyl ester
CAS No: 1259065-07-0 Catalog No: AG000OYB MDL No:MFCD18088888
Product Description
Catalog Number:
AG000OYB
Chemical Name:
1H-Azepine-1,4-dicarboxylic acid, hexahydro-, 1-(1,1-dimethylethyl) 4-methyl ester
CAS Number:
1259065-07-0
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD18088888
IUPAC Name:
1-O-tert-butyl 4-O-methyl azepane-1,4-dicarboxylate
InChI:
InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-8-5-6-10(7-9-14)11(15)17-4/h10H,5-9H2,1-4H3
InChI Key:
YWNWOJPFGLNYQU-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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