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90927-40-5 | 1,3-Benzodioxole-5-carboxylicacid, 3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-
CAS No: 90927-40-5 Catalog No: AG006GF9 MDL No:
Product Description
Catalog Number:
AG006GF9
Chemical Name:
1,3-Benzodioxole-5-carboxylicacid, 3a,6,7,7a-tetrahydro-7-hydroxy-2,2-dimethyl-
CAS Number:
90927-40-5
Molecular Formula:
C10H14O5
Molecular Weight:
214.2152
IUPAC Name:
7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid
InChI:
InChI=1S/C10H14O5/c1-10(2)14-7-4-5(9(12)13)3-6(11)8(7)15-10/h4,6-8,11H,3H2,1-2H3,(H,12,13)
InChI Key:
PILATNHSTHZMCA-UHFFFAOYSA-N
SMILES:
OC1CC(=CC2C1OC(O2)(C)C)C(=O)O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.217g/mol
Monoisotopic Mass:
214.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| A new flavone from Hypericum wightianum. | Journal of Asian natural products research 20041201 |
| [Chemical constituents of Hyperricum monogynum]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20020201 |
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