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86499-19-6 | 1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-
CAS No: 86499-19-6 Catalog No: AG004Q58 MDL No:
Product Description
Catalog Number:
AG004Q58
Chemical Name:
1H-1-Benzazepine-1-acetic acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-
CAS Number:
86499-19-6
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
2-(3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid
InChI:
InChI=1S/C12H14N2O3/c13-9-6-5-8-3-1-2-4-10(8)14(12(9)17)7-11(15)16/h1-4,9H,5-7,13H2,(H,15,16)
InChI Key:
JTCTZPXAQOMDEI-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)C(N)CCc2c1cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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