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88626-77-1 | Benzene, [(4-methyl-4-pentenyl)oxy]-
CAS No: 88626-77-1 Catalog No: AG004BSB MDL No:
Product Description
Catalog Number:
AG004BSB
Chemical Name:
Benzene, [(4-methyl-4-pentenyl)oxy]-
CAS Number:
88626-77-1
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
4-methylpent-4-enoxybenzene
InChI:
InChI=1S/C12H16O/c1-11(2)7-6-10-13-12-8-4-3-5-9-12/h3-5,8-9H,1,6-7,10H2,2H3
InChI Key:
DBTUWOMSPZZCIP-UHFFFAOYSA-N
SMILES:
CC(=C)CCCOc1ccccc1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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