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19820-46-3 | Propanoic acid, 2,2-dimethyl-, 2-formylphenyl ester
CAS No: 19820-46-3 Catalog No: AG002BD6 MDL No:
Product Description
Catalog Number:
AG002BD6
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2-formylphenyl ester
CAS Number:
19820-46-3
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
(2-formylphenyl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C12H14O3/c1-12(2,3)11(14)15-10-7-5-4-6-9(10)8-13/h4-8H,1-3H3
InChI Key:
OEMXBXIZNKRKJY-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OC(=O)C(C)(C)C
Properties
Complexity:
240
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:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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