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1196-73-2 | 1-Cyclohexen-1-ol, 2-methyl-, 1-acetate
CAS No: 1196-73-2 Catalog No: AG000P97 MDL No:
Product Description
Catalog Number:
AG000P97
Chemical Name:
1-Cyclohexen-1-ol, 2-methyl-, 1-acetate
CAS Number:
1196-73-2
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
acetic acid;2-methylcyclohexen-1-ol
InChI:
InChI=1S/C7H12O.C2H4O2/c1-6-4-2-3-5-7(6)8;1-2(3)4/h8H,2-5H2,1H3;1H3,(H,3,4)
InChI Key:
GPVUUKHYKJBXRB-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=C(C)CCCC1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/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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