Home Carboxys methyl 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxylate

methyl 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxylate

CAS No.:
99517-60-9
Catalog Number:
AG01DJDE
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG01DJDE
Chemical Name:
methyl 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxylate
CAS Number:
99517-60-9
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD13192801
IUPAC Name:
methyl 2,2-dimethyl-3H-1-benzofuran-7-carboxylate
InChI:
InChI=1S/C12H14O3/c1-12(2)7-8-5-4-6-9(10(8)15-12)11(13)14-3/h4-6H,7H2,1-3H3
InChI Key:
CVBTZBQEXQYDPR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1OC(C2)(C)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties