Name: Name:1,2,3,4,5,6-hexahydro-3-benzazocin-4-one
Brand: Angene
SKU: AG01C18X
Rating: 90 (10 reviews)

1,2,3,4,5,6-hexahydro-3-benzazocin-4-one

CAS No.:

39788-41-5

Catalog Number:

AG01C18X

Molecular Formula:

C11H13NO

Molecular Weight:

175.2270

Catalog Number:

AG01C18X

Chemical Name:

1,2,3,4,5,6-hexahydro-3-benzazocin-4-one

CAS Number:

39788-41-5

Molecular Formula:

C11H13NO

Molecular Weight:

175.2270

MDL Number:

MFCD09866367

IUPAC Name:

2,3,5,6-tetrahydro-1H-3-benzazocin-4-one

InChI:

InChI=1S/C11H13NO/c13-11-6-5-9-3-1-2-4-10(9)7-8-12-11/h1-4H,5-8H2,(H,12,13)

InChI Key:

VXTRUHWTBSSGTI-UHFFFAOYSA-N

SMILES:

O=C1NCCc2c(CC1)cccc2

Complexity:

191

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.231g/mol

Monoisotopic Mass:

175.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5