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79909-37-8 | 1,4-Naphthalenediol, 1,2,3,4-tetrahydro-, diacetate
CAS No: 79909-37-8 Catalog No: AG004Z9O MDL No:
Product Description
Catalog Number:
AG004Z9O
Chemical Name:
1,4-Naphthalenediol, 1,2,3,4-tetrahydro-, diacetate
CAS Number:
79909-37-8
Molecular Formula:
C14H20O6
Molecular Weight:
284.3050
IUPAC Name:
acetic acid;1,2,3,4-tetrahydronaphthalene-1,4-diol
InChI:
InChI=1S/C10H12O2.2C2H4O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;2*1-2(3)4/h1-4,9-12H,5-6H2;2*1H3,(H,3,4)
InChI Key:
IDMRLILLJLELLC-UHFFFAOYSA-N
SMILES:
OC1CCC(c2c1cccc2)O.CC(=O)O.CC(=O)O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
284.308g/mol
Monoisotopic Mass:
284.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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