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176436-84-3 | 1-Pentyn-3-ol, 4-methyl-1-phenyl-, (3S)-
CAS No: 176436-84-3 Catalog No: AG0024O1 MDL No:
Product Description
Catalog Number:
AG0024O1
Chemical Name:
1-Pentyn-3-ol, 4-methyl-1-phenyl-, (3S)-
CAS Number:
176436-84-3
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
(3S)-4-methyl-1-phenylpent-1-yn-3-ol
InChI:
InChI=1S/C12H14O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12-13H,1-2H3/t12-/m1/s1
InChI Key:
KRXFLLINIVIGNG-GFCCVEGCSA-N
SMILES:
O[C@@H](C(C)C)C#Cc1ccccc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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