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17686-38-3 | Pentanoic acid, 5-[(carboxymethyl)amino]-5-oxo-
CAS No: 17686-38-3 Catalog No: AG0024Z4 MDL No:
Product Description
Catalog Number:
AG0024Z4
Chemical Name:
Pentanoic acid, 5-[(carboxymethyl)amino]-5-oxo-
CAS Number:
17686-38-3
Molecular Formula:
C7H11NO5
Molecular Weight:
189.1659
IUPAC Name:
5-(carboxymethylamino)-5-oxopentanoic acid
InChI:
InChI=1S/C7H11NO5/c9-5(8-4-7(12)13)2-1-3-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H,12,13)
InChI Key:
NBLKTRLPZFCMJG-UHFFFAOYSA-N
SMILES:
O=C(NCC(=O)O)CCCC(=O)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
189.167g/mol
Monoisotopic Mass:
189.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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