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113981-38-7 | Pentanoic acid, 3-[(carboxymethyl)(2-hydroxyethyl)amino]-
CAS No: 113981-38-7 Catalog No: AG000A8S MDL No:
Product Description
Catalog Number:
AG000A8S
Chemical Name:
Pentanoic acid, 3-[(carboxymethyl)(2-hydroxyethyl)amino]-
CAS Number:
113981-38-7
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
IUPAC Name:
3-[carboxymethyl(2-hydroxyethyl)amino]pentanoic acid
InChI:
InChI=1S/C9H17NO5/c1-2-7(5-8(12)13)10(3-4-11)6-9(14)15/h7,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChI Key:
UZMABKIQOIHWJF-UHFFFAOYSA-N
SMILES:
OCCN(C(CC(=O)O)CC)CC(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.237g/mol
Monoisotopic Mass:
219.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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