Home Carboxys methyl 4-(hydroxymethyl)-2-methylfuran-3-carboxylate

methyl 4-(hydroxymethyl)-2-methylfuran-3-carboxylate

CAS No.:
1823360-34-4
Catalog Number:
AG01DZ22
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
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Product Description
Catalog Number:
AG01DZ22
Chemical Name:
methyl 4-(hydroxymethyl)-2-methylfuran-3-carboxylate
CAS Number:
1823360-34-4
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
MDL Number:
MFCD27952269
IUPAC Name:
methyl 4-(hydroxymethyl)-2-methylfuran-3-carboxylate
InChI:
InChI=1S/C8H10O4/c1-5-7(8(10)11-2)6(3-9)4-12-5/h4,9H,3H2,1-2H3
InChI Key:
CNGXWOSXDKIIKP-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)occ1CO
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties