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86650-47-7 | 4-Pentynoic acid, 3-methylene-5-phenyl-
CAS No: 86650-47-7 Catalog No: AG004OK4 MDL No:
Product Description
Catalog Number:
AG004OK4
Chemical Name:
4-Pentynoic acid, 3-methylene-5-phenyl-
CAS Number:
86650-47-7
Molecular Formula:
C12H10O2
Molecular Weight:
186.2066
IUPAC Name:
3-methylidene-5-phenylpent-4-ynoic acid
InChI:
InChI=1S/C12H10O2/c1-10(9-12(13)14)7-8-11-5-3-2-4-6-11/h2-6H,1,9H2,(H,13,14)
InChI Key:
HJDAHNHVEIHEHH-UHFFFAOYSA-N
SMILES:
OC(=O)CC(=C)C#Cc1ccccc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.21g/mol
Monoisotopic Mass:
186.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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