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1456821-63-8 | 3-Morpholinone, 2,2-bis(hydroxymethyl)-4-methyl-
CAS No: 1456821-63-8 Catalog No: AG001DA6 MDL No:MFCD26383907
Product Description
Catalog Number:
AG001DA6
Chemical Name:
3-Morpholinone, 2,2-bis(hydroxymethyl)-4-methyl-
CAS Number:
1456821-63-8
Molecular Formula:
C7H13NO4
Molecular Weight:
175.1824
MDL Number:
MFCD26383907
IUPAC Name:
2,2-bis(hydroxymethyl)-4-methylmorpholin-3-one
InChI:
InChI=1S/C7H13NO4/c1-8-2-3-12-7(4-9,5-10)6(8)11/h9-10H,2-5H2,1H3
InChI Key:
SBMKJZXVBJPLCN-UHFFFAOYSA-N
SMILES:
OCC1(CO)OCCN(C1=O)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.184g/mol
Monoisotopic Mass:
175.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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