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859235-62-4 | Propanoic acid, 2,2-dimethyl-, 2-formyl-4-methoxyphenyl ester
CAS No: 859235-62-4 Catalog No: AG004MSX MDL No:
Product Description
Catalog Number:
AG004MSX
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2-formyl-4-methoxyphenyl ester
CAS Number:
859235-62-4
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
(2-formyl-4-methoxyphenyl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C13H16O4/c1-13(2,3)12(15)17-11-6-5-10(16-4)7-9(11)8-14/h5-8H,1-4H3
InChI Key:
OPNOBTUJDGLBME-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)ccc1OC(=O)C(C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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