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88911-43-7 | 3-Isoxazoleoctanol, 5-(dimethoxymethyl)-4,5-dihydro-
CAS No: 88911-43-7 Catalog No: AG0048RH MDL No:
Product Description
Catalog Number:
AG0048RH
Chemical Name:
3-Isoxazoleoctanol, 5-(dimethoxymethyl)-4,5-dihydro-
CAS Number:
88911-43-7
Molecular Formula:
C14H27NO4
Molecular Weight:
273.3685
IUPAC Name:
8-[5-(dimethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]octan-1-ol
InChI:
InChI=1S/C14H27NO4/c1-17-14(18-2)13-11-12(15-19-13)9-7-5-3-4-6-8-10-16/h13-14,16H,3-11H2,1-2H3
InChI Key:
HFKFKTOOMBZAQD-UHFFFAOYSA-N
SMILES:
OCCCCCCCCC1=NOC(C1)C(OC)OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.373g/mol
Monoisotopic Mass:
273.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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