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69697-74-1 | 1,4-Cyclohexadiene,1-methoxy-2-methyl-
CAS No: 69697-74-1 Catalog No: AG005IVX MDL No:
Product Description
Catalog Number:
AG005IVX
Chemical Name:
1,4-Cyclohexadiene,1-methoxy-2-methyl-
CAS Number:
69697-74-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
1-methoxy-2-methylcyclohexa-1,4-diene
InChI:
InChI=1S/C8H12O/c1-7-5-3-4-6-8(7)9-2/h3-4H,5-6H2,1-2H3
InChI Key:
NCSRTRFNBMMGKK-UHFFFAOYSA-N
SMILES:
COC1=C(C)CC=CC1
EC Number:
274-086-5
Properties
Complexity:
154
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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