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198996-98-4 | Benzene, [1-methoxy-1-(1-methylethyl)-3-buten-1-yl]-
CAS No: 198996-98-4 Catalog No: AG002BUF MDL No:
Product Description
Catalog Number:
AG002BUF
Chemical Name:
Benzene, [1-methoxy-1-(1-methylethyl)-3-buten-1-yl]-
CAS Number:
198996-98-4
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
(3-methoxy-2-methylhex-5-en-3-yl)benzene
InChI:
InChI=1S/C14H20O/c1-5-11-14(15-4,12(2)3)13-9-7-6-8-10-13/h5-10,12H,1,11H2,2-4H3
InChI Key:
ZFEXDVPIVZCOKI-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccccc1)(C(C)C)OC
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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