200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100374-72-9
100374-72-9 | Benzoic acid, 3,4,5-trihydroxy-2-phenoxy-
CAS No: 100374-72-9 Catalog No: AG0001ST MDL No:
Product Description
Catalog Number:
AG0001ST
Chemical Name:
Benzoic acid, 3,4,5-trihydroxy-2-phenoxy-
CAS Number:
100374-72-9
Molecular Formula:
C13H10O6
Molecular Weight:
262.2149
IUPAC Name:
3,4,5-trihydroxy-2-phenoxybenzoic acid
InChI:
InChI=1S/C13H10O6/c14-9-6-8(13(17)18)12(11(16)10(9)15)19-7-4-2-1-3-5-7/h1-6,14-16H,(H,17,18)
InChI Key:
ITWZSMWMGILMBL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(O)c(c(c1Oc1ccccc1)O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
262.217g/mol
Monoisotopic Mass:
262.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.