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1199-90-2 | Benzene, 1-(3-buten-1-yl)-3-methoxy-
CAS No: 1199-90-2 Catalog No: AG000PUI MDL No:MFCD07698644
Product Description
Catalog Number:
AG000PUI
Chemical Name:
Benzene, 1-(3-buten-1-yl)-3-methoxy-
CAS Number:
1199-90-2
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD07698644
IUPAC Name:
1-but-3-enyl-3-methoxybenzene
InChI:
InChI=1S/C11H14O/c1-3-4-6-10-7-5-8-11(9-10)12-2/h3,5,7-9H,1,4,6H2,2H3
InChI Key:
LWOKVRVQSZWTMQ-UHFFFAOYSA-N
SMILES:
C=CCCc1cccc(c1)OC
Properties
Complexity:
131
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:
3.7
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