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19790-05-7 | Cycloheptanol, 2-methyl-, trans- (8CI,9CI)
CAS No: 19790-05-7 Catalog No: AG002B5I MDL No:
Product Description
Catalog Number:
AG002B5I
Chemical Name:
Cycloheptanol, 2-methyl-, trans- (8CI,9CI)
CAS Number:
19790-05-7
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
IUPAC Name:
(1R,2R)-2-methylcycloheptan-1-ol
InChI:
InChI=1S/C8H16O/c1-7-5-3-2-4-6-8(7)9/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChI Key:
CVEWSZALSLGZAU-HTQZYQBOSA-N
SMILES:
C[C@@H]1CCCCC[C@H]1O
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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