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19834-29-8 | Butanoic acid, 4-[(aminocarbonyl)amino]-4-oxo-, methyl ester
CAS No: 19834-29-8 Catalog No: AG002BGQ MDL No:
Product Description
Catalog Number:
AG002BGQ
Chemical Name:
Butanoic acid, 4-[(aminocarbonyl)amino]-4-oxo-, methyl ester
CAS Number:
19834-29-8
Molecular Formula:
C6H10N2O4
Molecular Weight:
174.1546
IUPAC Name:
methyl 4-(carbamoylamino)-4-oxobutanoate
InChI:
InChI=1S/C6H10N2O4/c1-12-5(10)3-2-4(9)8-6(7)11/h2-3H2,1H3,(H3,7,8,9,11)
InChI Key:
BBONCVIVTZXYKK-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)NC(=O)N
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.156g/mol
Monoisotopic Mass:
174.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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