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197250-99-0 | Benzene, 1-(1-butyn-1-yl)-4-methoxy-
CAS No: 197250-99-0 Catalog No: AG002AOM MDL No:
Product Description
Catalog Number:
AG002AOM
Chemical Name:
Benzene, 1-(1-butyn-1-yl)-4-methoxy-
CAS Number:
197250-99-0
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
1-but-1-ynyl-4-methoxybenzene
InChI:
InChI=1S/C11H12O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h6-9H,3H2,1-2H3
InChI Key:
KFCZINMOAMGOBE-UHFFFAOYSA-N
SMILES:
CCC#Cc1ccc(cc1)OC
Properties
Complexity:
176
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:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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