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144479-03-8

144479-03-8 | Benzene, [3-(phenylmethoxy)-1-propyn-1-yl]-

CAS No: 144479-03-8 Catalog No: AG001JLQ MDL No:

Product Description

Catalog Number:
AG001JLQ
Chemical Name:
Benzene, [3-(phenylmethoxy)-1-propyn-1-yl]-
CAS Number:
144479-03-8
Molecular Formula:
C16H14O
Molecular Weight:
222.2818
IUPAC Name:
3-phenylmethoxyprop-1-ynylbenzene
InChI:
InChI=1S/C16H14O/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h1-6,8-11H,13-14H2
InChI Key:
ZAHYYRUQIOWLSF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COCC#Cc1ccccc1

Properties

Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.104g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.287g/mol
Monoisotopic Mass:
222.104g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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