Home Other Building Blocks 2-methoxy-4-propoxybenzoic acid

2-methoxy-4-propoxybenzoic acid

CAS No.:
104217-01-8
Catalog Number:
AG01BCRZ
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
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Product Description
Catalog Number:
AG01BCRZ
Chemical Name:
2-methoxy-4-propoxybenzoic acid
CAS Number:
104217-01-8
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
MDL Number:
MFCD12177301
IUPAC Name:
2-methoxy-4-propoxybenzoic acid
InChI:
InChI=1S/C11H14O4/c1-3-6-15-8-4-5-9(11(12)13)10(7-8)14-2/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChI Key:
BYPSTFUCGUMFDO-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)OC)C(=O)O
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Potential antifungal benzhydrazides. Journal of medicinal and pharmaceutical chemistry 19610301
Properties