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123762-09-4 | 1-Pentyn-3-ol, 1-phenyl-, (3S)-
CAS No: 123762-09-4 Catalog No: AG000L1S MDL No:
Product Description
Catalog Number:
AG000L1S
Chemical Name:
1-Pentyn-3-ol, 1-phenyl-, (3S)-
CAS Number:
123762-09-4
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
1-phenylpent-1-yn-3-ol
InChI:
InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3
InChI Key:
QWCMSASONHVIHV-UHFFFAOYSA-N
SMILES:
CC[C@@H](C#Cc1ccccc1)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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