Home Other Building Blocks 2-(oxan-4-yl)-2-oxoacetic acid

2-(oxan-4-yl)-2-oxoacetic acid

CAS No.:
871261-02-8
Catalog Number:
AG01C04F
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
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Product Description
Catalog Number:
AG01C04F
Chemical Name:
2-(oxan-4-yl)-2-oxoacetic acid
CAS Number:
871261-02-8
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD18452133
IUPAC Name:
2-(oxan-4-yl)-2-oxoacetic acid
InChI:
InChI=1S/C7H10O4/c8-6(7(9)10)5-1-3-11-4-2-5/h5H,1-4H2,(H,9,10)
InChI Key:
JCHGXZYMFMXIQH-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)C1CCOCC1
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties