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102438-16-4 | 2-Hexynoic acid, 6-(phenylmethoxy)-, methyl ester
CAS No: 102438-16-4 Catalog No: AG0007HZ MDL No:
Product Description
Catalog Number:
AG0007HZ
Chemical Name:
2-Hexynoic acid, 6-(phenylmethoxy)-, methyl ester
CAS Number:
102438-16-4
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
methyl 6-phenylmethoxyhex-2-ynoate
InChI:
InChI=1S/C14H16O3/c1-16-14(15)10-6-3-7-11-17-12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,7,11-12H2,1H3
InChI Key:
WNJYHJAFBLMRTJ-UHFFFAOYSA-N
SMILES:
COC(=O)C#CCCCOCc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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