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129101-36-6 | 2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, (2S)-
CAS No: 129101-36-6 Catalog No: AG000YUS MDL No:
Product Description
Catalog Number:
AG000YUS
Chemical Name:
2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, (2S)-
CAS Number:
129101-36-6
Molecular Formula:
C10H9FO3
Molecular Weight:
196.1751
IUPAC Name:
(2S)-6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid
InChI:
InChI=1S/C10H9FO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)/t9-/m0/s1
InChI Key:
ZNJANLXCXMVFFI-VIFPVBQESA-N
SMILES:
OC(=O)[C@@H]1CCc2c(O1)ccc(c2)F
EC Number:
810-842-8
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.177g/mol
Monoisotopic Mass:
196.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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