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100245-32-7 | Benzoic acid, 5-ethyl-2,3-dihydroxy-
CAS No: 100245-32-7 Catalog No: AG0001CM MDL No:
Product Description
Catalog Number:
AG0001CM
Chemical Name:
Benzoic acid, 5-ethyl-2,3-dihydroxy-
CAS Number:
100245-32-7
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
5-ethyl-2,3-dihydroxybenzoic acid
InChI:
InChI=1S/C9H10O4/c1-2-5-3-6(9(12)13)8(11)7(10)4-5/h3-4,10-11H,2H2,1H3,(H,12,13)
InChI Key:
DNIUGLPAZRMKLG-UHFFFAOYSA-N
SMILES:
CCc1cc(O)c(c(c1)C(=O)O)O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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