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88807-01-6 | 3-Oxazolidineheptanoic acid, 4-(3-hydroxy-1-octenyl)-2-oxo-
CAS No: 88807-01-6 Catalog No: AG008AZK MDL No:
Product Description
Catalog Number:
AG008AZK
Chemical Name:
3-Oxazolidineheptanoic acid, 4-(3-hydroxy-1-octenyl)-2-oxo-
CAS Number:
88807-01-6
Molecular Formula:
C18H31NO5
Molecular Weight:
341.4424
IUPAC Name:
7-[4-(3-hydroxyoct-1-enyl)-2-oxo-1,3-oxazolidin-3-yl]heptanoic acid
InChI:
InChI=1S/C18H31NO5/c1-2-3-6-9-16(20)12-11-15-14-24-18(23)19(15)13-8-5-4-7-10-17(21)22/h11-12,15-16,20H,2-10,13-14H2,1H3,(H,21,22)
InChI Key:
KCVKXWCBDVHTDL-UHFFFAOYSA-N
SMILES:
CCCCCC(C=CC1COC(=O)N1CCCCCCC(=O)O)O
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.22g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.448g/mol
Monoisotopic Mass:
341.22g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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