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114831-14-0 | Heptanedioic acid, 2,6-diamino-3-chloro-
CAS No: 114831-14-0 Catalog No: AG000FBZ MDL No:
Product Description
Catalog Number:
AG000FBZ
Chemical Name:
Heptanedioic acid, 2,6-diamino-3-chloro-
CAS Number:
114831-14-0
Molecular Formula:
C7H13ClN2O4
Molecular Weight:
224.6421
IUPAC Name:
2,6-diamino-3-chloroheptanedioic acid
InChI:
InChI=1S/C7H13ClN2O4/c8-3(5(10)7(13)14)1-2-4(9)6(11)12/h3-5H,1-2,9-10H2,(H,11,12)(H,13,14)
InChI Key:
UZCHFKQDEKHHGI-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCC(C(C(=O)O)N)Cl)N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
224.641g/mol
Monoisotopic Mass:
224.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6
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