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137590-31-9 | 2H-1-Benzopyran, 3,4-dihydro-2-(phenylmethyl)-, (R)- (9CI)
CAS No: 137590-31-9 Catalog No: AG0013M4 MDL No:
Product Description
Catalog Number:
AG0013M4
Chemical Name:
2H-1-Benzopyran, 3,4-dihydro-2-(phenylmethyl)-, (R)- (9CI)
CAS Number:
137590-31-9
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
IUPAC Name:
2-benzyl-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C16H16O/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)17-15/h1-9,15H,10-12H2
InChI Key:
PDPBIXXIHOWWHA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C[C@H]1CCc2c(O1)cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.303g/mol
Monoisotopic Mass:
224.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Antioxidant properties of benzylchroman derivatives from Caesalpinia sappan L. against oxidative stress evaluated in vitro. | Journal of enzyme inhibition and medicinal chemistry 20101001 |
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