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81486-17-1 | Chroman-3,8-diol
CAS No: 81486-17-1 Catalog No: AG005K9T MDL No:
Product Description
Catalog Number:
AG005K9T
Chemical Name:
Chroman-3,8-diol
CAS Number:
81486-17-1
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
3,4-dihydro-2H-chromene-3,8-diol
InChI:
InChI=1S/C9H10O3/c10-7-4-6-2-1-3-8(11)9(6)12-5-7/h1-3,7,10-11H,4-5H2
InChI Key:
UANJXJQTNXYKEN-UHFFFAOYSA-N
SMILES:
OC1COc2c(C1)cccc2O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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