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159765-58-9 | Benzene, (3-methoxy-3-buten-1-yl)-
CAS No: 159765-58-9 Catalog No: AG001RDE MDL No:
Product Description
Catalog Number:
AG001RDE
Chemical Name:
Benzene, (3-methoxy-3-buten-1-yl)-
CAS Number:
159765-58-9
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
3-methoxybut-3-enylbenzene
InChI:
InChI=1S/C11H14O/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChI Key:
WKLVMAZUGYWFQR-UHFFFAOYSA-N
SMILES:
COC(=C)CCc1ccccc1
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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