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102698-33-9

102698-33-9 | 1,3-Cyclohexadiene, 5,6-dimethoxy-, (5R,6R)-rel-

CAS No: 102698-33-9 Catalog No: AG00085A MDL No:

Product Description

Catalog Number:
AG00085A
Chemical Name:
1,3-Cyclohexadiene, 5,6-dimethoxy-, (5R,6R)-rel-
CAS Number:
102698-33-9
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
5,6-dimethoxycyclohexa-1,3-diene
InChI:
InChI=1S/C8H12O2/c1-9-7-5-3-4-6-8(7)10-2/h3-8H,1-2H3
InChI Key:
XVVLXJOFXQXIMU-UHFFFAOYSA-N
SMILES:
CO[C@@H]1C=CC=C[C@H]1OC

Properties

Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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