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138196-38-0 | 1,3-Cyclopentadiene-1,3-diol, 1,3-diacetate
CAS No: 138196-38-0 Catalog No: AG00188Z MDL No:
Product Description
Catalog Number:
AG00188Z
Chemical Name:
1,3-Cyclopentadiene-1,3-diol, 1,3-diacetate
CAS Number:
138196-38-0
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
acetic acid;cyclopenta-1,3-diene-1,3-diol
InChI:
InChI=1S/C5H6O2.2C2H4O2/c6-4-1-2-5(7)3-4;2*1-2(3)4/h1,3,6-7H,2H2;2*1H3,(H,3,4)
InChI Key:
NPUKJUNDNJGNMQ-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=CCC(=C1)OC(=O)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
218.205g/mol
Monoisotopic Mass:
218.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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