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72206-40-7 | 1-Heptyn-3-ol, 1-phenyl-
CAS No: 72206-40-7 Catalog No: AG005JG2 MDL No:
Product Description
Catalog Number:
AG005JG2
Chemical Name:
1-Heptyn-3-ol, 1-phenyl-
CAS Number:
72206-40-7
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
1-phenylhept-1-yn-3-ol
InChI:
InChI=1S/C13H16O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8,13-14H,2-3,9H2,1H3
InChI Key:
XAHDRXXKLCEOAC-UHFFFAOYSA-N
SMILES:
CCCCC(C#Cc1ccccc1)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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