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125261-96-3 | Pentanoic acid, 4-formyl-2-methoxyphenyl ester
CAS No: 125261-96-3 Catalog No: AG000NEU MDL No:
Product Description
Catalog Number:
AG000NEU
Chemical Name:
Pentanoic acid, 4-formyl-2-methoxyphenyl ester
CAS Number:
125261-96-3
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
(4-formyl-2-methoxyphenyl) pentanoate
InChI:
InChI=1S/C13H16O4/c1-3-4-5-13(15)17-11-7-6-10(9-14)8-12(11)16-2/h6-9H,3-5H2,1-2H3
InChI Key:
HJTALWDAUWWRBV-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Oc1ccc(cc1OC)C=O
Properties
Complexity:
252
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:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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