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1009120-05-1

1009120-05-1 | 3-Oxetaneacetic acid, α-[(methoxycarbonyl)amino]-

CAS No: 1009120-05-1 Catalog No: AG00036F MDL No:

Product Description

Catalog Number:
AG00036F
Chemical Name:
3-Oxetaneacetic acid, α-[(methoxycarbonyl)amino]-
CAS Number:
1009120-05-1
Molecular Formula:
C7H11NO5
Molecular Weight:
189.1659
IUPAC Name:
2-(methoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
InChI:
InChI=1S/C7H11NO5/c1-12-7(11)8-5(6(9)10)4-2-13-3-4/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChI Key:
JPCXGAHSWZKCCO-UHFFFAOYSA-N
SMILES:
COC(=O)NC(C1COC1)C(=O)O

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.167g/mol
Monoisotopic Mass:
189.064g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

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