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16814-46-3 | 1,2-Naphthalenediol, 1,2,3,4-tetrahydro-, 1,2-diacetate, (1R,2S)-rel-
CAS No: 16814-46-3 Catalog No: AG001XUK MDL No:
Product Description
Catalog Number:
AG001XUK
Chemical Name:
1,2-Naphthalenediol, 1,2,3,4-tetrahydro-, 1,2-diacetate, (1R,2S)-rel-
CAS Number:
16814-46-3
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
acetic acid;(1R,2S)-1,2,3,4-tetrahydronaphthalene-1,2-diol
InChI:
InChI=1S/C10H12O2.2C2H4O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12;2*1-2(3)4/h1-4,9-12H,5-6H2;2*1H3,(H,3,4)/t9-,10+;;/m0../s1
InChI Key:
KKSYDVHJWWIBMD-JXGSBULDSA-N
SMILES:
CC(=O)O[C@H]1[C@H](CCc2c1cccc2)OC(=O)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
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