| CAS Number | 53947-92-5 |
| Catalog Number | AG00DB8A(AGN-PC-0SG5RN) |
| Chemical Name | CORYLIN |
| IUPAC Name | 3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one |
| InChI | InChI=1S/C20H16O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)16-11-23-18-10-14(21)4-5-15(18)19(16)22/h3-11,21H,1-2H3 |
| InChI Key | PWAACAMQKVIVPZ-UHFFFAOYSA-N |
| MDL Number | MFCD20260784 |
| Molecular Formula | C20H16O4 |
| Molecular Weight | 320.3386 |
| SMILES | O=C1C(C2=CC=C3C(C=CC(C)(C)O3)=C2)=COC4=CC(O)=CC=C14 |
| Synonyms | corylin,
Corylin,
53947-92-5,
3-(2,2-dimethylchromen-6-yl)-7-hydroxychromen-4-one,
AC1NSTV6,
SCHEMBL1096083,
CHEMBL1271888,
HY-N0236,
BDBM50349976,
LMPK12050033,
MFCD20260784,
ZINC13408703,
AKOS032948696,
CS-3752,
FT-0688289,
W1716,
isowighteone,
C20H16O4,
ACN-047630,
CID5316097,
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| Complexity | 576 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.344g/mol |
| Monoisotopic Mass | 320.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number