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4906-25-6 | Methyl 4-butoxybenzoate
CAS No: 4906-25-6 Catalog No: AG003RW1 MDL No:MFCD00070801
Product Description
Catalog Number:
AG003RW1
Chemical Name:
Methyl 4-butoxybenzoate
CAS Number:
4906-25-6
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD00070801
IUPAC Name:
methyl 4-butoxybenzoate
InChI:
InChI=1S/C12H16O3/c1-3-4-9-15-11-7-5-10(6-8-11)12(13)14-2/h5-8H,3-4,9H2,1-2H3
InChI Key:
PUHCYTHGLBCWEA-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)OC
EC Number:
610-443-7
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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