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88217-59-8 | 4-Morpholinebutanoic acid, octyl ester
CAS No: 88217-59-8 Catalog No: AG004BEI MDL No:
Product Description
Catalog Number:
AG004BEI
Chemical Name:
4-Morpholinebutanoic acid, octyl ester
CAS Number:
88217-59-8
Molecular Formula:
C16H31NO3
Molecular Weight:
285.4222
IUPAC Name:
octyl 4-morpholin-4-ylbutanoate
InChI:
InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-13-20-16(18)9-8-10-17-11-14-19-15-12-17/h2-15H2,1H3
InChI Key:
ZRPQHAPPOIMRAE-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)CCCN1CCOCC1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.428g/mol
Monoisotopic Mass:
285.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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