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2597-54-8 | Carbamic acid, N-acetyl-, ethyl ester
CAS No: 2597-54-8 Catalog No: AG002R8Q MDL No:
Product Description
Catalog Number:
AG002R8Q
Chemical Name:
Carbamic acid, N-acetyl-, ethyl ester
CAS Number:
2597-54-8
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
IUPAC Name:
ethyl N-acetylcarbamate
InChI:
InChI=1S/C5H9NO3/c1-3-9-5(8)6-4(2)7/h3H2,1-2H3,(H,6,7,8)
InChI Key:
CLLOFODTUXGHHT-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC(=O)C
UNII:
I8F18KW903
NSC Number:
60212
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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