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490-64-2 | 2,4,5-Trimethoxybenzoic Acid
CAS No: 490-64-2 Catalog No: AG003FM1 MDL No:MFCD00002435
Product Description
Catalog Number:
AG003FM1
Chemical Name:
2,4,5-Trimethoxybenzoic Acid
CAS Number:
490-64-2
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
MDL Number:
MFCD00002435
IUPAC Name:
2,4,5-trimethoxybenzoic acid
InChI:
InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChI Key:
KVZUCOGWKYOPID-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1OC)OC
EC Number:
207-715-9
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.201g/mol
Monoisotopic Mass:
212.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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