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Home > Aldehydes > 280586-26-7
280586-26-7 | 7-methoxy-3,3-dimethyl-2,3-dihydrobenzo[b]oxepine-5-carbaldehyde
CAS No: 280586-26-7 Catalog No: AG01DKGY MDL No:
Product Description
Catalog Number:
AG01DKGY
Chemical Name:
7-methoxy-3,3-dimethyl-2,3-dihydrobenzo[b]oxepine-5-carbaldehyde
CAS Number:
280586-26-7
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
7-methoxy-3,3-dimethyl-2H-1-benzoxepine-5-carbaldehyde
InChI:
InChI=1S/C14H16O3/c1-14(2)7-10(8-15)12-6-11(16-3)4-5-13(12)17-9-14/h4-8H,9H2,1-3H3
InChI Key:
FJTDJJRLZXTYOW-UHFFFAOYSA-N
SMILES:
O=CC1=CC(C)(C)COc2c1cc(OC)cc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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