Home Carboxys 5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylic acid hydrochloride

5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylic acid hydrochloride

CAS No.:
1311315-29-3
Catalog Number:
AG01AI4S
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
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Product Description
Catalog Number:
AG01AI4S
Chemical Name:
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylic acid hydrochloride
CAS Number:
1311315-29-3
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD18917262
IUPAC Name:
5-amino-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c13-12(11(14)15)8-4-3-6-9-5-1-2-7-10(9)12;/h1-2,5,7H,3-4,6,8,13H2,(H,14,15);1H
InChI Key:
UHYFKZRLDRSNGL-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)CCCCc2c1cccc2.Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties