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126225-13-6 | 3-Butyn-2-ol, 4-(4-methylphenyl)-1-(phenylmethoxy)-, (R)- (9CI)
CAS No: 126225-13-6 Catalog No: AG000SDR MDL No:
Product Description
Catalog Number:
AG000SDR
Chemical Name:
3-Butyn-2-ol, 4-(4-methylphenyl)-1-(phenylmethoxy)-, (R)- (9CI)
CAS Number:
126225-13-6
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
4-(4-methylphenyl)-1-phenylmethoxybut-3-yn-2-ol
InChI:
InChI=1S/C18H18O2/c1-15-7-9-16(10-8-15)11-12-18(19)14-20-13-17-5-3-2-4-6-17/h2-10,18-19H,13-14H2,1H3
InChI Key:
TWAJNDWOXSHXOI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C#C[C@H](COCc1ccccc1)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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