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256928-75-3 | 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(2-methyl-1-oxobutoxy)-, inner salt, (2R)-
CAS No: 256928-75-3 Catalog No: AG0031XM MDL No:MFCD18642158
Product Description
Catalog Number:
AG0031XM
Chemical Name:
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(2-methyl-1-oxobutoxy)-, inner salt, (2R)-
CAS Number:
256928-75-3
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD18642158
IUPAC Name:
3-(2-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate
InChI:
InChI=1S/C12H23NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
InChI Key:
IHCPDBBYTYJYIL-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C(C[N+](C)(C)C)(CC(=O)[O-])O)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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