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2165429-68-3 | (5S)-1,4-oxazepane-5-carboxylic acid
CAS No: 2165429-68-3 Catalog No: AG01FL9L MDL No:
Product Description
Catalog Number:
AG01FL9L
Chemical Name:
(5S)-1,4-oxazepane-5-carboxylic acid
CAS Number:
2165429-68-3
IUPAC Name:
1,4-oxazepane-5-carboxylic acid
InChI:
InChI=1S/C6H11NO3/c8-6(9)5-1-3-10-4-2-7-5/h5,7H,1-4H2,(H,8,9)
InChI Key:
SYAZJTXQJYCQPS-UHFFFAOYSA-N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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