Name: Name:1-Azulenecarboxaldehyde,3,8-dimethyl-5-(1-methylethyl)-
Brand: Angene
SKU: AG007GDE
Rating: 90 (10 reviews)

1-Azulenecarboxaldehyde,3,8-dimethyl-5-(1-methylethyl)-

CAS No.:

3331-47-3

Catalog Number:

AG007GDE

Molecular Formula:

C16H18O

Molecular Weight:

226.3135

Catalog Number:

AG007GDE

Chemical Name:

1-Azulenecarboxaldehyde,3,8-dimethyl-5-(1-methylethyl)-

CAS Number:

3331-47-3

Molecular Formula:

C16H18O

Molecular Weight:

226.3135

MDL Number:

MFCD00275723

IUPAC Name:

3,8-dimethyl-5-propan-2-ylazulene-1-carbaldehyde

InChI:

InChI=1S/C16H18O/c1-10(2)13-6-5-11(3)16-14(9-17)7-12(4)15(16)8-13/h5-10H,1-4H3

InChI Key:

CDVRGGMPPUFSFH-UHFFFAOYSA-N

SMILES:

O=Cc1cc(c2c1c(C)ccc(c2)C(C)C)C

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.319g/mol

Monoisotopic Mass:

226.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2