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100482-27-7 | Benzoic acid, 4-hydroxy-3,5-dipropyl-
CAS No: 100482-27-7 Catalog No: AG00022S MDL No:
Product Description
Catalog Number:
AG00022S
Chemical Name:
Benzoic acid, 4-hydroxy-3,5-dipropyl-
CAS Number:
100482-27-7
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
4-hydroxy-3,5-dipropylbenzoic acid
InChI:
InChI=1S/C13H18O3/c1-3-5-9-7-11(13(15)16)8-10(6-4-2)12(9)14/h7-8,14H,3-6H2,1-2H3,(H,15,16)
InChI Key:
RRADOGMUVWBEFW-UHFFFAOYSA-N
SMILES:
CCCc1cc(cc(c1O)CCC)C(=O)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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