200,000+ products from a single source!
sales@angenechem.com
116407-43-3 | 1H-Azepine-4-carboxylic acid, methyl ester
CAS No: 116407-43-3 Catalog No: AG000CFG MDL No:
Product Description
Catalog Number:
AG000CFG
Chemical Name:
1H-Azepine-4-carboxylic acid, methyl ester
CAS Number:
116407-43-3
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
IUPAC Name:
methyl 1H-azepine-4-carboxylate
InChI:
InChI=1S/C8H9NO2/c1-11-8(10)7-3-2-5-9-6-4-7/h2-6,9H,1H3
InChI Key:
LDWSMDAQSDCQHI-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CC=CNC=C1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.