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100311-30-6 | Benzoic acid, 4-(carboxymethoxy)-3,5-dipropyl-
CAS No: 100311-30-6 Catalog No: AG0001LV MDL No:
Product Description
Catalog Number:
AG0001LV
Chemical Name:
Benzoic acid, 4-(carboxymethoxy)-3,5-dipropyl-
CAS Number:
100311-30-6
Molecular Formula:
C15H20O5
Molecular Weight:
280.3163
IUPAC Name:
4-(carboxymethoxy)-3,5-dipropylbenzoic acid
InChI:
InChI=1S/C15H20O5/c1-3-5-10-7-12(15(18)19)8-11(6-4-2)14(10)20-9-13(16)17/h7-8H,3-6,9H2,1-2H3,(H,16,17)(H,18,19)
InChI Key:
RJDFLXSAVMILLO-UHFFFAOYSA-N
SMILES:
CCCc1cc(cc(c1OCC(=O)O)CCC)C(=O)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.32g/mol
Monoisotopic Mass:
280.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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