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156053-83-7 | 2-Cyclopentene-1-methanol, 3,4,5,5-tetramethyl-, 1-acetate, (1R,4R)-
CAS No: 156053-83-7 Catalog No: AG001OGU MDL No:
Product Description
Catalog Number:
AG001OGU
Chemical Name:
2-Cyclopentene-1-methanol, 3,4,5,5-tetramethyl-, 1-acetate, (1R,4R)-
CAS Number:
156053-83-7
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
acetic acid;[(1R,4R)-3,4,5,5-tetramethylcyclopent-2-en-1-yl]methanol
InChI:
InChI=1S/C10H18O.C2H4O2/c1-7-5-9(6-11)10(3,4)8(7)2;1-2(3)4/h5,8-9,11H,6H2,1-4H3;1H3,(H,3,4)/t8-,9+;/m1./s1
InChI Key:
HLISQIOQYUYFBB-RJUBDTSPSA-N
SMILES:
CC(=O)OC[C@@H]1C=C([C@H](C1(C)C)C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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