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88164-91-4 | 4-Cyclohexene-1,2-diol, 3-methylene-, trans-
CAS No: 88164-91-4 Catalog No: AG004H1V MDL No:
Product Description
Catalog Number:
AG004H1V
Chemical Name:
4-Cyclohexene-1,2-diol, 3-methylene-, trans-
CAS Number:
88164-91-4
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
(1R,2R)-3-methylidenecyclohex-4-ene-1,2-diol
InChI:
InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h2-3,6-9H,1,4H2/t6-,7-/m1/s1
InChI Key:
VLAQWMFDDFWAGL-RNFRBKRXSA-N
SMILES:
O[C@H]1[C@H](O)CC=CC1=C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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