Home Carboxys Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydrobenzofuran-6-carboxylate

Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydrobenzofuran-6-carboxylate

CAS No.:
955884-97-6
Catalog Number:
AG00H8ZO
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
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Product Description
Catalog Number:
AG00H8ZO
Chemical Name:
Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydrobenzofuran-6-carboxylate
CAS Number:
955884-97-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD11226227
IUPAC Name:
methyl 4-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carboxylate
InChI:
InChI=1S/C12H14O4/c1-12(2)6-8-9(13)4-7(11(14)15-3)5-10(8)16-12/h4-5,13H,6H2,1-3H3
InChI Key:
NEJMNNJFWLVHHF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2OC(Cc2c(c1)O)(C)C
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties