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100103-33-1 | Benzene, (3-methoxy-3-methyl-1-buten-1-yl)-
CAS No: 100103-33-1 Catalog No: AG0000YU MDL No:
Product Description
Catalog Number:
AG0000YU
Chemical Name:
Benzene, (3-methoxy-3-methyl-1-buten-1-yl)-
CAS Number:
100103-33-1
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
(3-methoxy-3-methylbut-1-enyl)benzene
InChI:
InChI=1S/C12H16O/c1-12(2,13-3)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3
InChI Key:
YKBWTDGPVYTMKD-UHFFFAOYSA-N
SMILES:
COC(C=Cc1ccccc1)(C)C
Properties
Complexity:
164
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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