200,000+ products from a single source!
sales@angenechem.com
938181-32-9 | Ethyl 5-oxooxepane-4-carboxylate
CAS No: 938181-32-9 Catalog No: AG003AA6 MDL No:MFCD22544171
Product Description
Catalog Number:
AG003AA6
Chemical Name:
Ethyl 5-oxooxepane-4-carboxylate
CAS Number:
938181-32-9
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD22544171
IUPAC Name:
ethyl 5-oxooxepane-4-carboxylate
InChI:
InChI=1S/C9H14O4/c1-2-13-9(11)7-3-5-12-6-4-8(7)10/h7H,2-6H2,1H3
InChI Key:
FTRZAHWLSIAJSW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCOCCC1=O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.