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113904-21-5 | Heptanedioic acid, 2-[(3-carboxy-1-oxopropyl)amino]-
CAS No: 113904-21-5 Catalog No: AG000A1O MDL No:
Product Description
Catalog Number:
AG000A1O
Chemical Name:
Heptanedioic acid, 2-[(3-carboxy-1-oxopropyl)amino]-
CAS Number:
113904-21-5
Molecular Formula:
C11H17NO7
Molecular Weight:
275.2552
IUPAC Name:
2-(3-carboxypropanoylamino)heptanedioic acid
InChI:
InChI=1S/C11H17NO7/c13-8(5-6-10(16)17)12-7(11(18)19)3-1-2-4-9(14)15/h7H,1-6H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
InChI Key:
MXEWLKKTYNETPD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(C(=O)O)NC(=O)CCC(=O)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
275.257g/mol
Monoisotopic Mass:
275.101g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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