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102629-48-1 | 2-Cyclohexen-1-ol, 3,6-dimethyl-, trans- (9CI)
CAS No: 102629-48-1 Catalog No: AG0007ZC MDL No:
Product Description
Catalog Number:
AG0007ZC
Chemical Name:
2-Cyclohexen-1-ol, 3,6-dimethyl-, trans- (9CI)
CAS Number:
102629-48-1
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
3,6-dimethylcyclohex-2-en-1-ol
InChI:
InChI=1S/C8H14O/c1-6-3-4-7(2)8(9)5-6/h5,7-9H,3-4H2,1-2H3
InChI Key:
QJHURMQQXSYNRW-UHFFFAOYSA-N
SMILES:
CC1=C[C@H]([C@@H](CC1)C)O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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