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177602-81-2 | 2-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dihydroxy-, cis- (9CI)
CAS No: 177602-81-2 Catalog No: AG0025EL MDL No:
Product Description
Catalog Number:
AG0025EL
Chemical Name:
2-Naphthalenecarboxylicacid, 3,4-dihydro-3,4-dihydroxy-, cis- (9CI)
CAS Number:
177602-81-2
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
(3R,4S)-3,4-dihydroxy-3,4-dihydronaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H10O4/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h1-5,9-10,12-13H,(H,14,15)/t9-,10+/m0/s1
InChI Key:
HWNKOYZBGTYVET-VHSXEESVSA-N
SMILES:
OC(=O)C1=Cc2ccccc2[C@@H]([C@@H]1O)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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