Home Carboxys methyl 1,5-dioxaspiro[2.5]octane-2-carboxylate

methyl 1,5-dioxaspiro[2.5]octane-2-carboxylate

CAS No.:
1495959-53-9
Catalog Number:
AG01B1MP
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
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Product Description
Catalog Number:
AG01B1MP
Chemical Name:
methyl 1,5-dioxaspiro[2.5]octane-2-carboxylate
CAS Number:
1495959-53-9
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD21321609
IUPAC Name:
methyl 1,7-dioxaspiro[2.5]octane-2-carboxylate
InChI:
InChI=1S/C8H12O4/c1-10-7(9)6-8(12-6)3-2-4-11-5-8/h6H,2-5H2,1H3
InChI Key:
LKJJHTZMACARLF-UHFFFAOYSA-N
SMILES:
COC(=O)C1OC21CCCOC2
Properties
Complexity:
203  
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:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties