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1498-96-0 | 4-Butoxybenzoic acid
CAS No: 1498-96-0 Catalog No: AG003LTB MDL No:MFCD00002546
Product Description
Catalog Number:
AG003LTB
Chemical Name:
4-Butoxybenzoic acid
CAS Number:
1498-96-0
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00002546
IUPAC Name:
4-butoxybenzoic acid
InChI:
InChI=1S/C11H14O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChI Key:
LAUFPZPAKULAGB-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)O
EC Number:
216-104-6
NSC Number:
60247
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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