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87142-53-8 | 1-Cyclohexen-1-ol, 3-methylene-, acetate
CAS No: 87142-53-8 Catalog No: AG004TAL MDL No:
Product Description
Catalog Number:
AG004TAL
Chemical Name:
1-Cyclohexen-1-ol, 3-methylene-, acetate
CAS Number:
87142-53-8
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
acetic acid;3-methylidenecyclohexen-1-ol
InChI:
InChI=1S/C7H10O.C2H4O2/c1-6-3-2-4-7(8)5-6;1-2(3)4/h5,8H,1-4H2;1H3,(H,3,4)
InChI Key:
IZOJNFYXSFKKAR-UHFFFAOYSA-N
SMILES:
OC1=CC(=C)CCC1.CC(=O)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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