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79427-91-1 | Benzoic acid, 5-butoxy-2-hydroxy-
CAS No: 79427-91-1 Catalog No: AG005K3N MDL No:
Product Description
Catalog Number:
AG005K3N
Chemical Name:
Benzoic acid, 5-butoxy-2-hydroxy-
CAS Number:
79427-91-1
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
5-butoxy-2-hydroxybenzoic acid
InChI:
InChI=1S/C11H14O4/c1-2-3-6-15-8-4-5-10(12)9(7-8)11(13)14/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChI Key:
AHOYBBZASFMDDD-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1)C(=O)O)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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