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101536-78-1 | Benzoic acid, 3-chloro-5-ethyl-6-hydroxy-2-methoxy-
CAS No: 101536-78-1 Catalog No: AG0004Q8 MDL No:
Product Description
Catalog Number:
AG0004Q8
Chemical Name:
Benzoic acid, 3-chloro-5-ethyl-6-hydroxy-2-methoxy-
CAS Number:
101536-78-1
Molecular Formula:
C10H11ClO4
Molecular Weight:
230.6449
IUPAC Name:
5-chloro-3-ethyl-2-hydroxy-6-methoxybenzoic acid
InChI:
InChI=1S/C10H11ClO4/c1-3-5-4-6(11)9(15-2)7(8(5)12)10(13)14/h4,12H,3H2,1-2H3,(H,13,14)
InChI Key:
QWZTVBQFBKECDB-UHFFFAOYSA-N
SMILES:
CCc1cc(Cl)c(c(c1O)C(=O)O)OC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.644g/mol
Monoisotopic Mass:
230.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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