Name: Name:5H-Benzocyclohepten-5-one, 3-amino-6,7,8,9-tetrahydro-
Brand: Angene
SKU: AG00IITT
Rating: 90 (10 reviews)

5H-Benzocyclohepten-5-one, 3-amino-6,7,8,9-tetrahydro-

CAS No.:

95207-68-4

Catalog Number:

AG00IITT

Molecular Formula:

C11H13NO

Molecular Weight:

175.2270

Catalog Number:

AG00IITT

Chemical Name:

5H-Benzocyclohepten-5-one, 3-amino-6,7,8,9-tetrahydro-

CAS Number:

95207-68-4

Molecular Formula:

C11H13NO

Molecular Weight:

175.2270

MDL Number:

MFCD00090176

IUPAC Name:

3-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

InChI:

InChI=1S/C11H13NO/c12-9-6-5-8-3-1-2-4-11(13)10(8)7-9/h5-7H,1-4,12H2

InChI Key:

ZQRDYXKTQPGKMC-UHFFFAOYSA-N

SMILES:

Nc1ccc2c(c1)C(=O)CCCC2

NSC Number:

105605

Complexity:

202

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:

43.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9