Home Carboxys 2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid

2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid

CAS No.:
1225503-10-5
Catalog Number:
AG01C37M
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG01C37M
Chemical Name:
2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid
CAS Number:
1225503-10-5
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD16306393
IUPAC Name:
2,2-dimethyl-3,4-dihydrochromene-4-carboxylic acid
InChI:
InChI=1S/C12H14O3/c1-12(2)7-9(11(13)14)8-5-3-4-6-10(8)15-12/h3-6,9H,7H2,1-2H3,(H,13,14)
InChI Key:
BWVFHFVXJOLMIC-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(C)(C)Oc2c1cccc2
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:
1  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties