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1268521-78-3 | 1H-Azepine-4-acetic acid, 1-[(1,1-dimethylethoxy)carbonyl]hexahydro-
CAS No: 1268521-78-3 Catalog No: AG000TD6 MDL No:MFCD18633020
Product Description
Catalog Number:
AG000TD6
Chemical Name:
1H-Azepine-4-acetic acid, 1-[(1,1-dimethylethoxy)carbonyl]hexahydro-
CAS Number:
1268521-78-3
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD18633020
IUPAC Name:
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
InChI:
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-7-4-5-10(6-8-14)9-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChI Key:
SEUSWUSUWUZJLG-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCN(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:
1
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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