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131992-92-2 | Propanoic acid, 2-(3-formylphenoxy)-2-methyl-, ethyl ester
CAS No: 131992-92-2 Catalog No: AG00100P MDL No:
Product Description
Catalog Number:
AG00100P
Chemical Name:
Propanoic acid, 2-(3-formylphenoxy)-2-methyl-, ethyl ester
CAS Number:
131992-92-2
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
ethyl 2-(3-formylphenoxy)-2-methylpropanoate
InChI:
InChI=1S/C13H16O4/c1-4-16-12(15)13(2,3)17-11-7-5-6-10(8-11)9-14/h5-9H,4H2,1-3H3
InChI Key:
RSCRMFCGBFOWCA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1cccc(c1)C=O)(C)C
Properties
Complexity:
273
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:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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