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889949-15-9 | 2-(8-AMINO-1,4-DIOXASPIRO[4.5]DECAN-8-YL)ACETIC ACID
CAS No: 889949-15-9 Catalog No: AG0045M3 MDL No:
Product Description
Catalog Number:
AG0045M3
Chemical Name:
2-(8-AMINO-1,4-DIOXASPIRO[4.5]DECAN-8-YL)ACETIC ACID
CAS Number:
889949-15-9
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
IUPAC Name:
2-(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
InChI:
InChI=1S/C10H17NO4/c11-9(7-8(12)13)1-3-10(4-2-9)14-5-6-15-10/h1-7,11H2,(H,12,13)
InChI Key:
JTEBCEBWWIDILZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(N)CCC2(CC1)OCCO2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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