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100245-34-9 | Benzoic acid, 5-ethyl-2-hydroxy-3-methoxy-
CAS No: 100245-34-9 Catalog No: AG0001CL MDL No:
Product Description
Catalog Number:
AG0001CL
Chemical Name:
Benzoic acid, 5-ethyl-2-hydroxy-3-methoxy-
CAS Number:
100245-34-9
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
5-ethyl-2-hydroxy-3-methoxybenzoic acid
InChI:
InChI=1S/C10H12O4/c1-3-6-4-7(10(12)13)9(11)8(5-6)14-2/h4-5,11H,3H2,1-2H3,(H,12,13)
InChI Key:
LDQDSFIQRDVGPV-UHFFFAOYSA-N
SMILES:
CCc1cc(OC)c(c(c1)C(=O)O)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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