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820215-71-2 | Benzenepropanoic acid, 3,4-bis(2-propynyloxy)-
CAS No: 820215-71-2 Catalog No: AG005E4Z MDL No:
Product Description
Catalog Number:
AG005E4Z
Chemical Name:
Benzenepropanoic acid, 3,4-bis(2-propynyloxy)-
CAS Number:
820215-71-2
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
3-[3,4-bis(prop-2-ynoxy)phenyl]propanoic acid
InChI:
InChI=1S/C15H14O4/c1-3-9-18-13-7-5-12(6-8-15(16)17)11-14(13)19-10-4-2/h1-2,5,7,11H,6,8-10H2,(H,16,17)
InChI Key:
HSVTWABTKBBFEY-UHFFFAOYSA-N
SMILES:
C#CCOc1cc(CCC(=O)O)ccc1OCC#C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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