Home Other Building Blocks 3-[(3-methylbut-2-en-1-yl)oxy]benzoic acid

3-[(3-methylbut-2-en-1-yl)oxy]benzoic acid

CAS No.:
1005163-13-2
Catalog Number:
AG019RVT
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG019RVT
Chemical Name:
3-[(3-methylbut-2-en-1-yl)oxy]benzoic acid
CAS Number:
1005163-13-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD11127704
IUPAC Name:
3-(3-methylbut-2-enoxy)benzoic acid
InChI:
InChI=1S/C12H14O3/c1-9(2)6-7-15-11-5-3-4-10(8-11)12(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)
InChI Key:
MPDXZEAUIIFQRB-UHFFFAOYSA-N
SMILES:
CC(=CCOc1cccc(c1)C(=O)O)C
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties