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121505-96-2

121505-96-2 | Carbamic acid, N-(2-oxo-3-buten-1-yl)-, 1,1-dimethylethyl ester

CAS No: 121505-96-2 Catalog No: AG00153K MDL No:

Product Description

Catalog Number:
AG00153K
Chemical Name:
Carbamic acid, N-(2-oxo-3-buten-1-yl)-, 1,1-dimethylethyl ester
CAS Number:
121505-96-2
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
tert-butyl N-(2-oxobut-3-enyl)carbamate
InChI:
InChI=1S/C9H15NO3/c1-5-7(11)6-10-8(12)13-9(2,3)4/h5H,1,6H2,2-4H3,(H,10,12)
InChI Key:
DLQDJBSUJNUBQX-UHFFFAOYSA-N
SMILES:
C=CC(=O)CNC(=O)OC(C)(C)C

Properties

Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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