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80113-88-8 | 1-Cyclopentene-1-methanol, 2-methyl-5-(1-methylethenyl)-, acetate
CAS No: 80113-88-8 Catalog No: AG005D8U MDL No:
Product Description
Catalog Number:
AG005D8U
Chemical Name:
1-Cyclopentene-1-methanol, 2-methyl-5-(1-methylethenyl)-, acetate
CAS Number:
80113-88-8
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
acetic acid;(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)methanol
InChI:
InChI=1S/C10H16O.C2H4O2/c1-7(2)9-5-4-8(3)10(9)6-11;1-2(3)4/h9,11H,1,4-6H2,2-3H3;1H3,(H,3,4)
InChI Key:
PCAHOAXQIABGGK-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCC1=C(C)CCC1C(=C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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