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263249-77-0 | Furo[2,3-g][3]benzoxepin-2-methanol, 2,3-dihydro-5-methoxy-α,α-dimethyl-, (2R)-
CAS No: 263249-77-0 Catalog No: AG002SQN MDL No:
Product Description
Catalog Number:
AG002SQN
Chemical Name:
Furo[2,3-g][3]benzoxepin-2-methanol, 2,3-dihydro-5-methoxy-α,α-dimethyl-, (2R)-
CAS Number:
263249-77-0
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
2-[(2R)-5-methoxy-2,3-dihydrofuro[3,2-i][3]benzoxepin-2-yl]propan-2-ol
InChI:
InChI=1S/C16H18O4/c1-16(2,17)14-9-10-8-13(18-3)11-4-6-19-7-5-12(11)15(10)20-14/h4-8,14,17H,9H2,1-3H3/t14-/m1/s1
InChI Key:
SOTPZHKVANVGAN-CQSZACIVSA-N
SMILES:
COc1cc2C[C@@H](Oc2c2c1C=COC=C2)C(O)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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