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70214-59-4 | 4-Pentynal, 5-phenyl-
CAS No: 70214-59-4 Catalog No: AG005KID MDL No:
Product Description
Catalog Number:
AG005KID
Chemical Name:
4-Pentynal, 5-phenyl-
CAS Number:
70214-59-4
Molecular Formula:
C11H10O
Molecular Weight:
158.1965
IUPAC Name:
5-phenylpent-4-ynal
InChI:
InChI=1S/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,10H,2,6H2
InChI Key:
IJEJFGDJLWFLTA-UHFFFAOYSA-N
SMILES:
O=CCCC#Cc1ccccc1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.073g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.2g/mol
Monoisotopic Mass:
158.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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