Home Carboxys 4-(methylamino)oxane-4-carboxylic acid

4-(methylamino)oxane-4-carboxylic acid

CAS No.:
1157932-08-5
Catalog Number:
AG01AIZK
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
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Product Description
Catalog Number:
AG01AIZK
Chemical Name:
4-(methylamino)oxane-4-carboxylic acid
CAS Number:
1157932-08-5
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
MDL Number:
MFCD12047755
IUPAC Name:
4-(methylamino)oxane-4-carboxylic acid
InChI:
InChI=1S/C7H13NO3/c1-8-7(6(9)10)2-4-11-5-3-7/h8H,2-5H2,1H3,(H,9,10)
InChI Key:
XQSFETBRMIRLGH-UHFFFAOYSA-N
SMILES:
CNC1(CCOCC1)C(=O)O
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7  
Properties