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140451-89-4 | 2H-1-Benzopyran-4-ol, 2-(4-chlorophenyl)-3,4-dihydro-, acetate, (2R,4R)-rel- (9CI)
CAS No: 140451-89-4 Catalog No: AG001CH3 MDL No:
Product Description
Catalog Number:
AG001CH3
Chemical Name:
2H-1-Benzopyran-4-ol, 2-(4-chlorophenyl)-3,4-dihydro-, acetate, (2R,4R)-rel- (9CI)
CAS Number:
140451-89-4
Molecular Formula:
C17H15ClO3
Molecular Weight:
302.7522
IUPAC Name:
acetic acid;2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
InChI:
InChI=1S/C15H13ClO2.C2H4O2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15;1-2(3)4/h1-8,13,15,17H,9H2;1H3,(H,3,4)
InChI Key:
LKHSSUHBBRYRGR-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@@H]1C[C@@H](Oc2c1cccc2)c1ccc(cc1)Cl
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.082g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.769g/mol
Monoisotopic Mass:
320.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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