Name: Name:pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbaldehyde
Brand: Angene
SKU: AG00C613
Rating: 90 (10 reviews)

pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbaldehyde

CAS No.:

38303-29-6

Catalog Number:

AG00C613

Molecular Formula:

C21H14O

Molecular Weight:

282.3353

Catalog Number:

AG00C613

Chemical Name:

pentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene-4-carbaldehyde

CAS Number:

38303-29-6

Molecular Formula:

C21H14O

Molecular Weight:

282.3353

MDL Number:

MFCD00540047

IUPAC Name:

pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene-4-carbaldehyde

InChI:

InChI=1S/C21H14O/c22-12-13-9-10-18-19(11-13)21-16-7-3-1-5-14(16)20(18)15-6-2-4-8-17(15)21/h1-12,20-21H

InChI Key:

IKDMGXWCXXHAAA-UHFFFAOYSA-N

SMILES:

O=Cc1ccc2c(c1)C1c3c(C2c2c1cccc2)cccc3

Complexity:

419

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.342g/mol

Monoisotopic Mass:

282.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3