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178456-34-3 | 3-Cyclopentene-1-methanol, 2-(acetyloxy)-, 1-acetate, (1R,2R)-
CAS No: 178456-34-3 Catalog No: AG002624 MDL No:
Product Description
Catalog Number:
AG002624
Chemical Name:
3-Cyclopentene-1-methanol, 2-(acetyloxy)-, 1-acetate, (1R,2R)-
CAS Number:
178456-34-3
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
acetic acid;[(1R,5R)-5-(hydroxymethyl)cyclopent-2-en-1-yl] acetate
InChI:
InChI=1S/C8H12O3.C2H4O2/c1-6(10)11-8-4-2-3-7(8)5-9;1-2(3)4/h2,4,7-9H,3,5H2,1H3;1H3,(H,3,4)/t7-,8-;/m1./s1
InChI Key:
SJKWXUZGEJNJLO-SCLLHFNJSA-N
SMILES:
CC(=O)OC[C@H]1CC=C[C@H]1OC(=O)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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