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Home Carbonyls E-4-[(Methoxycarbonyl)amino]-4-oxobut-2-enoic acid

E-4-[(Methoxycarbonyl)amino]-4-oxobut-2-enoic acid

CAS No.:
1820748-76-2
Catalog Number:
AG00I15F
Molecular Formula:
C6H7NO5
Molecular Weight:
173.1235
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00I15F
Chemical Name:
E-4-[(Methoxycarbonyl)amino]-4-oxobut-2-enoic acid
CAS Number:
1820748-76-2
Molecular Formula:
C6H7NO5
Molecular Weight:
173.1235
MDL Number:
MFCD27578171
IUPAC Name:
(E)-4-(methoxycarbonylamino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C6H7NO5/c1-12-6(11)7-4(8)2-3-5(9)10/h2-3H,1H3,(H,9,10)(H,7,8,11)/b3-2+
InChI Key:
UTLOBTILWKXKJX-NSCUHMNNSA-N
SMILES:
COC(=O)NC(=O)/C=C/C(=O)O
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
173.032g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.124g/mol
Monoisotopic Mass:
173.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties