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1758-25-4 | Benzeneacetic acid, 2,5-dimethoxy-
CAS No: 1758-25-4 Catalog No: AG00217R MDL No:MFCD00004322
Product Description
Catalog Number:
AG00217R
Chemical Name:
Benzeneacetic acid, 2,5-dimethoxy-
CAS Number:
1758-25-4
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00004322
IUPAC Name:
2-(2,5-dimethoxyphenyl)acetic acid
InChI:
InChI=1S/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:
BBZDYQUXRFATHZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CC(=O)O)OC
EC Number:
217-151-5
NSC Number:
74696
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:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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