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16307-57-6

16307-57-6 | 1-Aziridinecarboxylic acid, 2-methyl-3-(1-methylethyl)-, ethyl ester, trans- (9CI)

CAS No: 16307-57-6 Catalog No: AG001TO7 MDL No:

Product Description

Catalog Number:
AG001TO7
Chemical Name:
1-Aziridinecarboxylic acid, 2-methyl-3-(1-methylethyl)-, ethyl ester, trans- (9CI)
CAS Number:
16307-57-6
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
ethyl 2-methyl-3-propan-2-ylaziridine-1-carboxylate
InChI:
InChI=1S/C9H17NO2/c1-5-12-9(11)10-7(4)8(10)6(2)3/h6-8H,5H2,1-4H3
InChI Key:
YHDPIMPSWFCKOY-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1[C@H]([C@@H]1C)C(C)C
NSC Number:
113502

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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