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828248-65-3 | 1,4-Cyclohexadiene, 3-methoxy-3-methyl-
CAS No: 828248-65-3 Catalog No: AG004T3R MDL No:
Product Description
Catalog Number:
AG004T3R
Chemical Name:
1,4-Cyclohexadiene, 3-methoxy-3-methyl-
CAS Number:
828248-65-3
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
3-methoxy-3-methylcyclohexa-1,4-diene
InChI:
InChI=1S/C8H12O/c1-8(9-2)6-4-3-5-7-8/h4-7H,3H2,1-2H3
InChI Key:
RTMONNPMBBVECA-UHFFFAOYSA-N
SMILES:
COC1(C)C=CCC=C1
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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