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82793-38-2 | Benzoic acid, 4-methoxy-3-propyl-
CAS No: 82793-38-2 Catalog No: AG004TF8 MDL No:
Product Description
Catalog Number:
AG004TF8
Chemical Name:
Benzoic acid, 4-methoxy-3-propyl-
CAS Number:
82793-38-2
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
4-methoxy-3-propylbenzoic acid
InChI:
InChI=1S/C11H14O3/c1-3-4-8-7-9(11(12)13)5-6-10(8)14-2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChI Key:
DMNAYXOCMDHRTI-UHFFFAOYSA-N
SMILES:
CCCc1cc(ccc1OC)C(=O)O
Properties
Complexity:
191
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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