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10229-11-5 | 3-Butyn-1-ol, 4-phenyl-
CAS No: 10229-11-5 Catalog No: AG00074K MDL No:MFCD00046018
Product Description
Catalog Number:
AG00074K
Chemical Name:
3-Butyn-1-ol, 4-phenyl-
CAS Number:
10229-11-5
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
MDL Number:
MFCD00046018
IUPAC Name:
4-phenylbut-3-yn-1-ol
InChI:
InChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,5,9H2
InChI Key:
IBHSROAJVVUWSC-UHFFFAOYSA-N
SMILES:
OCCC#Cc1ccccc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.073g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.189g/mol
Monoisotopic Mass:
146.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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