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139183-36-1 | Propanoic acid, 3-(chloroamino)-3-imino-2-(methoxyimino)-, (Z)- (9CI)
CAS No: 139183-36-1 Catalog No: AG001AFR MDL No:
Product Description
Catalog Number:
AG001AFR
Chemical Name:
Propanoic acid, 3-(chloroamino)-3-imino-2-(methoxyimino)-, (Z)- (9CI)
CAS Number:
139183-36-1
Molecular Formula:
C4H6ClN3O3
Molecular Weight:
179.5617
IUPAC Name:
3-amino-3-chloroimino-2-methoxyiminopropanoic acid
InChI:
InChI=1S/C4H6ClN3O3/c1-11-8-2(4(9)10)3(6)7-5/h1H3,(H2,6,7)(H,9,10)
InChI Key:
LWAQYZRXCJORPX-UHFFFAOYSA-N
SMILES:
CO/N=C(/C(=N)NCl)\C(=O)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.56g/mol
Monoisotopic Mass:
179.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.4
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