200,000+ products from a single source!
sales@angenechem.com
848563-07-5 | 1H-1-Benzazepine-4-carboxylic acid, 2,3-dihydro-1-propyl-
CAS No: 848563-07-5 Catalog No: AG004WOH MDL No:
Product Description
Catalog Number:
AG004WOH
Chemical Name:
1H-1-Benzazepine-4-carboxylic acid, 2,3-dihydro-1-propyl-
CAS Number:
848563-07-5
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
1-propyl-2,3-dihydro-1-benzazepine-4-carboxylic acid
InChI:
InChI=1S/C14H17NO2/c1-2-8-15-9-7-12(14(16)17)10-11-5-3-4-6-13(11)15/h3-6,10H,2,7-9H2,1H3,(H,16,17)
InChI Key:
QSHDFFDOENCQMS-UHFFFAOYSA-N
SMILES:
CCCN1CCC(=Cc2c1cccc2)C(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.