2H-Pyran-4-acetic acid, 4-aminotetrahydro-, methyl ester


Chemical Name: 2H-Pyran-4-acetic acid, 4-aminotetrahydro-, methyl ester
CAS Number: 178242-93-8
Product Number: AG0025V6(AGN-PC-051M7H)
Synonyms:
MDL No: MFCD07784121
Molecular Formula: C8H15NO3
Molecular Weight: 173.2096

Identification/Properties


Computed Properties
Molecular Weight:
173.212g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
173.105g/mol
Monoisotopic Mass:
173.105g/mol
Topological Polar Surface Area:
61.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
164
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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