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2651-55-0 | Benzoic acid, 3-ethoxy-4-methoxy-
CAS No: 2651-55-0 Catalog No: AG002TIN MDL No:MFCD00276591
Product Description
Catalog Number:
AG002TIN
Chemical Name:
Benzoic acid, 3-ethoxy-4-methoxy-
CAS Number:
2651-55-0
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00276591
IUPAC Name:
3-ethoxy-4-methoxybenzoic acid
InChI:
InChI=1S/C10H12O4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key:
DMSAIFTWQMXOBE-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OC)C(=O)O
Properties
Complexity:
193
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:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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