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141796-26-1 | 2,5-Cyclohexadiene-1,4-dione, 2,3-dihydroxy-5-methoxy-
CAS No: 141796-26-1 Catalog No: AG001H7F MDL No:
Product Description
Catalog Number:
AG001H7F
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,3-dihydroxy-5-methoxy-
CAS Number:
141796-26-1
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
IUPAC Name:
2,3-dihydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C7H6O5/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2,9,11H,1H3
InChI Key:
CNDSMZVCTAUOPD-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=C(C1=O)O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.12g/mol
Monoisotopic Mass:
170.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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