Name: Name:2H-1,5-Benzodioxepin-7-carboxaldehyde,3,4-dihydro-
Brand: Angene
SKU: AG005P6E
Rating: 90 (10 reviews)

2H-1,5-Benzodioxepin-7-carboxaldehyde,3,4-dihydro-

CAS No.:

67869-90-3

Catalog Number:

AG005P6E

Molecular Formula:

C10H10O3

Molecular Weight:

178.1846

Catalog Number:

AG005P6E

Chemical Name:

2H-1,5-Benzodioxepin-7-carboxaldehyde,3,4-dihydro-

CAS Number:

67869-90-3

Molecular Formula:

C10H10O3

Molecular Weight:

178.1846

MDL Number:

MFCD01893356

IUPAC Name:

3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde

InChI:

InChI=1S/C10H10O3/c11-7-8-2-3-9-10(6-8)13-5-1-4-12-9/h2-3,6-7H,1,4-5H2

InChI Key:

LCSVYSVGXQQHSI-UHFFFAOYSA-N

SMILES:

O=Cc1ccc2c(c1)OCCCO2

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.187g/mol

Monoisotopic Mass:

178.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3