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26630-55-7 | Heptanedioic acid, 2-amino-, (2S)-
CAS No: 26630-55-7 Catalog No: AG002TVE MDL No:
Product Description
Catalog Number:
AG002TVE
Chemical Name:
Heptanedioic acid, 2-amino-, (2S)-
CAS Number:
26630-55-7
Molecular Formula:
C7H13NO4
Molecular Weight:
175.1824
IUPAC Name:
(2S)-2-aminoheptanedioic acid
InChI:
InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChI Key:
JUQLUIFNNFIIKC-YFKPBYRVSA-N
SMILES:
OC(=O)CCCC[C@@H](C(=O)O)N
UNII:
0603E10Z5S
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
175.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.184g/mol
Monoisotopic Mass:
175.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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