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831170-24-2 | 1-Cyclohepten-1-ol, 2-methyl-, acetate
CAS No: 831170-24-2 Catalog No: AG004WRH MDL No:
Product Description
Catalog Number:
AG004WRH
Chemical Name:
1-Cyclohepten-1-ol, 2-methyl-, acetate
CAS Number:
831170-24-2
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
acetic acid;2-methylcyclohepten-1-ol
InChI:
InChI=1S/C8H14O.C2H4O2/c1-7-5-3-2-4-6-8(7)9;1-2(3)4/h9H,2-6H2,1H3;1H3,(H,3,4)
InChI Key:
KSHTYHYXHIZLIZ-UHFFFAOYSA-N
SMILES:
CC1=C(O)CCCCC1.CC(=O)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/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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