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87129-37-1 | Propanoic acid, 2-(4-hydroxyphenoxy)-, 2-propynyl ester
CAS No: 87129-37-1 Catalog No: AG004KPH MDL No:
Product Description
Catalog Number:
AG004KPH
Chemical Name:
Propanoic acid, 2-(4-hydroxyphenoxy)-, 2-propynyl ester
CAS Number:
87129-37-1
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
IUPAC Name:
prop-2-ynyl 2-(4-hydroxyphenoxy)propanoate
InChI:
InChI=1S/C12H12O4/c1-3-8-15-12(14)9(2)16-11-6-4-10(13)5-7-11/h1,4-7,9,13H,8H2,2H3
InChI Key:
HJKUMDDSMXEAAP-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC#C)Oc1ccc(cc1)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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