Home Other Building Blocks 3,4-Dimethoxy-5-Propylbenzoic Acid

3,4-Dimethoxy-5-Propylbenzoic Acid

CAS No.:
199484-26-9
Catalog Number:
AG01DKAU
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
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Product Description
Catalog Number:
AG01DKAU
Chemical Name:
3,4-Dimethoxy-5-Propylbenzoic Acid
CAS Number:
199484-26-9
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD30472040
IUPAC Name:
3,4-dimethoxy-5-propylbenzoic acid
InChI:
InChI=1S/C12H16O4/c1-4-5-8-6-9(12(13)14)7-10(15-2)11(8)16-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChI Key:
WSFWOYHORZAMOG-UHFFFAOYSA-N
SMILES:
CCCc1cc(cc(c1OC)OC)C(=O)O
Properties
Complexity:
229  
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:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties