Home Other Building Blocks 3-(3-methoxypropoxy)-2-methylbenzoic acid

3-(3-methoxypropoxy)-2-methylbenzoic acid

CAS No.:
1546541-33-6
Catalog Number:
AG01BJD1
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
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Product Description
Catalog Number:
AG01BJD1
Chemical Name:
3-(3-methoxypropoxy)-2-methylbenzoic acid
CAS Number:
1546541-33-6
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD24311771
IUPAC Name:
3-(3-methoxypropoxy)-2-methylbenzoic acid
InChI:
InChI=1S/C12H16O4/c1-9-10(12(13)14)5-3-6-11(9)16-8-4-7-15-2/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)
InChI Key:
YUTICMOOXGOSOX-UHFFFAOYSA-N
SMILES:
Cc1c(OCCCOC)cccc1C(=O)O
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:
2  
Properties