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101451-75-6 | 2H-1-Benzopyran-2-one, 6-methoxy-7-(phenylmethoxy)-
CAS No: 101451-75-6 Catalog No: AG0004I1 MDL No:
Product Description
Catalog Number:
AG0004I1
Chemical Name:
2H-1-Benzopyran-2-one, 6-methoxy-7-(phenylmethoxy)-
CAS Number:
101451-75-6
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
IUPAC Name:
6-methoxy-7-phenylmethoxychromen-2-one
InChI:
InChI=1S/C17H14O4/c1-19-15-9-13-7-8-17(18)21-14(13)10-16(15)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChI Key:
MGBHKZIZISYSPP-UHFFFAOYSA-N
SMILES:
COc1cc2ccc(=O)oc2cc1OCc1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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