Home Carboxys methyl 5-hydroxyoxane-3-carboxylate

methyl 5-hydroxyoxane-3-carboxylate

CAS No.:
1207624-83-6
Catalog Number:
AG00IL9C
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
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Product Description
Catalog Number:
AG00IL9C
Chemical Name:
methyl 5-hydroxyoxane-3-carboxylate
CAS Number:
1207624-83-6
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
methyl 5-hydroxyoxane-3-carboxylate
InChI:
InChI=1S/C7H12O4/c1-10-7(9)5-2-6(8)4-11-3-5/h5-6,8H,2-4H2,1H3
InChI Key:
TVDGYINOOUKBLT-UHFFFAOYSA-N
SMILES:
COC(=O)C1COCC(C1)O
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties