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875629-26-8 | 1-Methylazetidine-3-carboxylic acid
CAS No: 875629-26-8 Catalog No: AG004RL9 MDL No:MFCD11520621
Product Description
Catalog Number:
AG004RL9
Chemical Name:
1-Methylazetidine-3-carboxylic acid
CAS Number:
875629-26-8
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
MDL Number:
MFCD11520621
IUPAC Name:
1-methylazetidine-3-carboxylic acid
InChI:
InChI=1S/C5H9NO2/c1-6-2-4(3-6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChI Key:
OQTWISXQJKXTEM-UHFFFAOYSA-N
SMILES:
CN1CC(C1)C(=O)O
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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