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97416-77-8 | 2-(HYDROXYMETHYL)-2-(OXAZOLIDIN-2-YL)PROPANE-1,3-DIOL
CAS No: 97416-77-8 Catalog No: AG00H8Y2 MDL No:
Product Description
Catalog Number:
AG00H8Y2
Chemical Name:
2-(HYDROXYMETHYL)-2-(OXAZOLIDIN-2-YL)PROPANE-1,3-DIOL
CAS Number:
97416-77-8
Molecular Formula:
C7H15NO4
Molecular Weight:
177.1983
IUPAC Name:
2-(hydroxymethyl)-2-(1,3-oxazolidin-2-yl)propane-1,3-diol
InChI:
InChI=1S/C7H15NO4/c9-3-7(4-10,5-11)6-8-1-2-12-6/h6,8-11H,1-5H2
InChI Key:
WLZNNRXZWUUMGD-UHFFFAOYSA-N
SMILES:
OCC(C1NCCO1)(CO)CO
EC Number:
306-825-5
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
177.2g/mol
Monoisotopic Mass:
177.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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