4-(phenylmethoxycarbonylamino)oxane-4-carboxylic acid


Chemical Name: 4-(phenylmethoxycarbonylamino)oxane-4-carboxylic acid
CAS Number: 138402-13-8
Product Number: AG0018Q5(AGN-PC-02D528)
Synonyms:
MDL No: MFCD10698084
Molecular Formula: C14H17NO5
Molecular Weight: 279.2885

Identification/Properties


Computed Properties
Molecular Weight:
279.292g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
279.111g/mol
Monoisotopic Mass:
279.111g/mol
Topological Polar Surface Area:
84.9A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
346
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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