Home Carboxys 1,4-dioxaspiro[4.4]nonane-6-carboxylic acid

1,4-dioxaspiro[4.4]nonane-6-carboxylic acid

CAS No.:
38853-85-9
Catalog Number:
AG01BGEN
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
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Product Description
Catalog Number:
AG01BGEN
Chemical Name:
1,4-dioxaspiro[4.4]nonane-6-carboxylic acid
CAS Number:
38853-85-9
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD20639843
IUPAC Name:
1,4-dioxaspiro[4.4]nonane-9-carboxylic acid
InChI:
InChI=1S/C8H12O4/c9-7(10)6-2-1-3-8(6)11-4-5-12-8/h6H,1-5H2,(H,9,10)
InChI Key:
RMNUHMJLVUBJPN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCC21OCCO2
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties