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82874-96-2 | Pentanoicacid, 2-(methoxyimino)-4-oxo-, ethyl ester
CAS No: 82874-96-2 Catalog No: AG004WFK MDL No:
Product Description
Catalog Number:
AG004WFK
Chemical Name:
Pentanoicacid, 2-(methoxyimino)-4-oxo-, ethyl ester
CAS Number:
82874-96-2
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
IUPAC Name:
ethyl 2-methoxyimino-4-oxopentanoate
InChI:
InChI=1S/C8H13NO4/c1-4-13-8(11)7(9-12-3)5-6(2)10/h4-5H2,1-3H3
InChI Key:
HDMJBDNQNKWAHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NOC)CC(=O)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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