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Home > Aldehydes > 919016-99-2
919016-99-2 | 8-METHOXY-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBALDEHYDE
CAS No: 919016-99-2 Catalog No: AG006LIC MDL No:MFCD08688024
Product Description
Catalog Number:
AG006LIC
Chemical Name:
8-METHOXY-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBALDEHYDE
CAS Number:
919016-99-2
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD08688024
IUPAC Name:
7-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-8-carbaldehyde
InChI:
InChI=1S/C11H12O4/c1-13-9-6-11-10(5-8(9)7-12)14-3-2-4-15-11/h5-7H,2-4H2,1H3
InChI Key:
PANDLBCGJKSKMH-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCCCOc2cc1OC
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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