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89326-75-0 | Benzoic acid, 4-(butoxymethyl)-
CAS No: 89326-75-0 Catalog No: AG003YEW MDL No:
Product Description
Catalog Number:
AG003YEW
Chemical Name:
Benzoic acid, 4-(butoxymethyl)-
CAS Number:
89326-75-0
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
4-(butoxymethyl)benzoic acid
InChI:
InChI=1S/C12H16O3/c1-2-3-8-15-9-10-4-6-11(7-5-10)12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChI Key:
FEPGKHZMVPLZTI-UHFFFAOYSA-N
SMILES:
CCCCOCc1ccc(cc1)C(=O)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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