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1260781-28-9 | Pentanoic acid, 4-methyl-, 4-(chloromethyl)phenyl ester
CAS No: 1260781-28-9 Catalog No: AG000R7Q MDL No:
Product Description
Catalog Number:
AG000R7Q
Chemical Name:
Pentanoic acid, 4-methyl-, 4-(chloromethyl)phenyl ester
CAS Number:
1260781-28-9
Molecular Formula:
C13H17ClO2
Molecular Weight:
240.7259
IUPAC Name:
[4-(chloromethyl)phenyl] 4-methylpentanoate
InChI:
InChI=1S/C13H17ClO2/c1-10(2)3-8-13(15)16-12-6-4-11(9-14)5-7-12/h4-7,10H,3,8-9H2,1-2H3
InChI Key:
QVUIOTSFZMTQOX-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)OC(=O)CCC(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.727g/mol
Monoisotopic Mass:
240.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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