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1084-74-8 | 3-(2′,5′-Dimethoxybenzoyl)propionic acid
CAS No: 1084-74-8 Catalog No: AG003HZY MDL No:MFCD00089268
Product Description
Catalog Number:
AG003HZY
Chemical Name:
3-(2′,5′-Dimethoxybenzoyl)propionic acid
CAS Number:
1084-74-8
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
MDL Number:
MFCD00089268
IUPAC Name:
4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C12H14O5/c1-16-8-3-5-11(17-2)9(7-8)10(13)4-6-12(14)15/h3,5,7H,4,6H2,1-2H3,(H,14,15)
InChI Key:
HSFBDVDTGCGJBZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)CCC(=O)O)OC
NSC Number:
103070
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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