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13575-74-1 | 4-(3,4-Dimethoxyphenyl)butanoic acid
CAS No: 13575-74-1 Catalog No: AG003K0T MDL No:MFCD00134101
Product Description
Catalog Number:
AG003K0T
Chemical Name:
4-(3,4-Dimethoxyphenyl)butanoic acid
CAS Number:
13575-74-1
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD00134101
IUPAC Name:
4-(3,4-dimethoxyphenyl)butanoic acid
InChI:
InChI=1S/C12H16O4/c1-15-10-7-6-9(8-11(10)16-2)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)
InChI Key:
IDQKCIAJGRMMNC-UHFFFAOYSA-N
SMILES:
COc1cc(CCCC(=O)O)ccc1OC
NSC Number:
286140
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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