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89248-93-1 | 4-Oxazolidineheptanoic acid, 3-(3-cycloheptyl-3-hydroxypropyl)-2-oxo-
CAS No: 89248-93-1 Catalog No: AG00882I MDL No:
Product Description
Catalog Number:
AG00882I
Chemical Name:
4-Oxazolidineheptanoic acid, 3-(3-cycloheptyl-3-hydroxypropyl)-2-oxo-
CAS Number:
89248-93-1
Molecular Formula:
C20H35NO5
Molecular Weight:
369.4956
IUPAC Name:
7-[3-(3-cycloheptyl-3-hydroxypropyl)-2-oxo-1,3-oxazolidin-4-yl]heptanoic acid
InChI:
InChI=1S/C20H35NO5/c22-18(16-9-5-1-2-6-10-16)13-14-21-17(15-26-20(21)25)11-7-3-4-8-12-19(23)24/h16-18,22H,1-15H2,(H,23,24)
InChI Key:
BCNHJMYSHIPZDL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCC1COC(=O)N1CCC(C1CCCCCC1)O
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.252g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.502g/mol
Monoisotopic Mass:
369.252g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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