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113021-63-9 | 4,4-Oxazolidinedimethanol, 2-propyl-
CAS No: 113021-63-9 Catalog No: AG00788O MDL No:
Product Description
Catalog Number:
AG00788O
Chemical Name:
4,4-Oxazolidinedimethanol, 2-propyl-
CAS Number:
113021-63-9
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
IUPAC Name:
[4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol
InChI:
InChI=1S/C8H17NO3/c1-2-3-7-9-8(4-10,5-11)6-12-7/h7,9-11H,2-6H2,1H3
InChI Key:
ULTVERNWTNPYGE-UHFFFAOYSA-N
SMILES:
CCCC1OCC(N1)(CO)CO
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.228g/mol
Monoisotopic Mass:
175.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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