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19896-25-4 | 4,4(5H)-Oxazoledimethanol, 2,2'-(1,4-butanediyl)bis-
CAS No: 19896-25-4 Catalog No: AG002BUB MDL No:
Product Description
Catalog Number:
AG002BUB
Chemical Name:
4,4(5H)-Oxazoledimethanol, 2,2'-(1,4-butanediyl)bis-
CAS Number:
19896-25-4
Molecular Formula:
C14H24N2O6
Molecular Weight:
316.3502
IUPAC Name:
[2-[4-[4,4-bis(hydroxymethyl)-5H-1,3-oxazol-2-yl]butyl]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C14H24N2O6/c17-5-13(6-18)9-21-11(15-13)3-1-2-4-12-16-14(7-19,8-20)10-22-12/h17-20H,1-10H2
InChI Key:
AUVJDYHPEDZHFL-UHFFFAOYSA-N
SMILES:
OCC1(CO)COC(=N1)CCCCC1=NC(CO1)(CO)CO
EC Number:
243-413-3
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
316.354g/mol
Monoisotopic Mass:
316.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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