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717-94-2 | 3,5-Dimethoxyphenylpropionic Acid
CAS No: 717-94-2 Catalog No: AG0036MO MDL No:MFCD03425685
Product Description
Catalog Number:
AG0036MO
Chemical Name:
3,5-Dimethoxyphenylpropionic Acid
CAS Number:
717-94-2
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
MDL Number:
MFCD03425685
IUPAC Name:
3-(3,5-dimethoxyphenyl)propanoic acid
InChI:
InChI=1S/C11H14O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChI Key:
LMBOJOXVLORKSQ-UHFFFAOYSA-N
SMILES:
COc1cc(CCC(=O)O)cc(c1)OC
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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