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1147-84-8 | Benzoic acid, 4-butoxy-3,5-dimethoxy-
CAS No: 1147-84-8 Catalog No: AG000F27 MDL No:MFCD12074247
Product Description
Catalog Number:
AG000F27
Chemical Name:
Benzoic acid, 4-butoxy-3,5-dimethoxy-
CAS Number:
1147-84-8
Molecular Formula:
C13H18O5
Molecular Weight:
254.2790
MDL Number:
MFCD12074247
IUPAC Name:
4-butoxy-3,5-dimethoxybenzoic acid
InChI:
InChI=1S/C13H18O5/c1-4-5-6-18-12-10(16-2)7-9(13(14)15)8-11(12)17-3/h7-8H,4-6H2,1-3H3,(H,14,15)
InChI Key:
OVEWGFZLBASBNE-UHFFFAOYSA-N
SMILES:
CCCCOc1c(OC)cc(cc1OC)C(=O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.282g/mol
Monoisotopic Mass:
254.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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