Home Other Building Blocks Benzenepentanoic acid, 3,4-dimethoxy-

Benzenepentanoic acid, 3,4-dimethoxy-

CAS No.:
1145-15-9
Catalog Number:
AG000EL5
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
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Product Description
Catalog Number:
AG000EL5
Chemical Name:
Benzenepentanoic acid, 3,4-dimethoxy-
CAS Number:
1145-15-9
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
MDL Number:
MFCD02169623
IUPAC Name:
5-(3,4-dimethoxyphenyl)pentanoic acid
InChI:
InChI=1S/C13H18O4/c1-16-11-8-7-10(9-12(11)17-2)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChI Key:
PIVDEYCOOAOYEI-UHFFFAOYSA-N
SMILES:
COc1cc(CCCCC(=O)O)ccc1OC
NSC Number:
46662
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties