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85607-75-6 | Benzoic acid, 2,4-bis(2-propynyloxy)-
CAS No: 85607-75-6 Catalog No: AG00513R MDL No:
Product Description
Catalog Number:
AG00513R
Chemical Name:
Benzoic acid, 2,4-bis(2-propynyloxy)-
CAS Number:
85607-75-6
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
IUPAC Name:
2,4-bis(prop-2-ynoxy)benzoic acid
InChI:
InChI=1S/C13H10O4/c1-3-7-16-10-5-6-11(13(14)15)12(9-10)17-8-4-2/h1-2,5-6,9H,7-8H2,(H,14,15)
InChI Key:
FNOVOVAXDCTGOR-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(c(c1)OCC#C)C(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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