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768387-51-5 | Benzoic acid, 3,5-bis(2-propynyloxy)-, methyl ester
CAS No: 768387-51-5 Catalog No: AG005HJW MDL No:
Product Description
Catalog Number:
AG005HJW
Chemical Name:
Benzoic acid, 3,5-bis(2-propynyloxy)-, methyl ester
CAS Number:
768387-51-5
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
IUPAC Name:
methyl 3,5-bis(prop-2-ynoxy)benzoate
InChI:
InChI=1S/C14H12O4/c1-4-6-17-12-8-11(14(15)16-3)9-13(10-12)18-7-5-2/h1-2,8-10H,6-7H2,3H3
InChI Key:
LTVUCTGIMYZCJU-UHFFFAOYSA-N
SMILES:
C#CCOc1cc(OCC#C)cc(c1)C(=O)OC
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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