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881236-39-1 | Benzoic acid, 3,5-bis[(dimethylamino)methyl]-2,4-dihydroxy-
CAS No: 881236-39-1 Catalog No: AG004FI9 MDL No:
Product Description
Catalog Number:
AG004FI9
Chemical Name:
Benzoic acid, 3,5-bis[(dimethylamino)methyl]-2,4-dihydroxy-
CAS Number:
881236-39-1
Molecular Formula:
C13H20N2O4
Molecular Weight:
268.3089
IUPAC Name:
3,5-bis[(dimethylamino)methyl]-2,4-dihydroxybenzoic acid
InChI:
InChI=1S/C13H20N2O4/c1-14(2)6-8-5-9(13(18)19)12(17)10(11(8)16)7-15(3)4/h5,16-17H,6-7H2,1-4H3,(H,18,19)
InChI Key:
KJFKQGGZSYMSFU-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(C(=O)O)c(c(c1O)CN(C)C)O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.313g/mol
Monoisotopic Mass:
268.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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