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

2-ethoxy-2-(oxan-4-yl)acetic acid

CAS No.:
1545579-64-3
Catalog Number:
AG01BS20
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
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Product Description
Catalog Number:
AG01BS20
Chemical Name:
2-ethoxy-2-(oxan-4-yl)acetic acid
CAS Number:
1545579-64-3
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD26021788
IUPAC Name:
2-ethoxy-2-(oxan-4-yl)acetic acid
InChI:
InChI=1S/C9H16O4/c1-2-13-8(9(10)11)7-3-5-12-6-4-7/h7-8H,2-6H2,1H3,(H,10,11)
InChI Key:
MXDDTFJWCUTOSQ-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)O)C1CCOCC1
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties