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1251002-39-7 | 2-Azaspiro[3.3]heptane-6-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 1251002-39-7 Catalog No: AG000N5X MDL No:MFCD17016195
Product Description
Catalog Number:
AG000N5X
Chemical Name:
2-Azaspiro[3.3]heptane-6-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
1251002-39-7
Molecular Formula:
C13H21NO4
Molecular Weight:
255.3101
MDL Number:
MFCD17016195
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.3]heptan-6-yl]acetic acid
InChI:
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-13(8-14)5-9(6-13)4-10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChI Key:
GMNBLTFFRVPTGU-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CC(C2)CC(=O)O)OC(C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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