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869785-31-9 | 3-((tert-Butoxycarbonyl)amino)tetrahydrofuran-3-carboxylic acid
CAS No: 869785-31-9 Catalog No: AG003A87 MDL No:MFCD04115501
Product Description
Catalog Number:
AG003A87
Chemical Name:
3-((tert-Butoxycarbonyl)amino)tetrahydrofuran-3-carboxylic acid
CAS Number:
869785-31-9
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
MDL Number:
MFCD04115501
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
InChI:
InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-10(7(12)13)4-5-15-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChI Key:
NTJLSVSHOMWEIC-UHFFFAOYSA-N
SMILES:
O=C(NC1(COCC1)C(=O)O)OC(C)(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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