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138254-90-7 | 5-Isoxazolemethanol, 3-dodecyl-
CAS No: 138254-90-7 Catalog No: AG0018E1 MDL No:
Product Description
Catalog Number:
AG0018E1
Chemical Name:
5-Isoxazolemethanol, 3-dodecyl-
CAS Number:
138254-90-7
Molecular Formula:
C16H29NO2
Molecular Weight:
267.4070
IUPAC Name:
(3-dodecyl-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C16H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-16(14-18)19-17-15/h13,18H,2-12,14H2,1H3
InChI Key:
CHIUIWQJXDAZBR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1noc(c1)CO
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.22g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.413g/mol
Monoisotopic Mass:
267.22g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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