Home Other Building Blocks Methyl 2-(3-hydroxyprop-1-yn-1-yl);benzoate

Methyl 2-(3-hydroxyprop-1-yn-1-yl);benzoate

CAS No.:
103606-72-0
Catalog Number:
AG007G9I
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
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Product Description
Catalog Number:
AG007G9I
Chemical Name:
Methyl 2-(3-hydroxyprop-1-yn-1-yl);benzoate
CAS Number:
103606-72-0
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
IUPAC Name:
methyl 2-(3-hydroxyprop-1-ynyl)benzoate
InChI:
InChI=1S/C11H10O3/c1-14-11(13)10-7-3-2-5-9(10)6-4-8-12/h2-3,5,7,12H,8H2,1H3
InChI Key:
YSEORDDJWGLYRL-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccccc1C(=O)OC
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties