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127181-31-1 | Cyclopropanecarboxylic acid, 1-amino-2-(hydroxymethyl)-, (1R,2S)-
CAS No: 127181-31-1 Catalog No: AG000WR3 MDL No:MFCD07776897
Product Description
Catalog Number:
AG000WR3
Chemical Name:
Cyclopropanecarboxylic acid, 1-amino-2-(hydroxymethyl)-, (1R,2S)-
CAS Number:
127181-31-1
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
MDL Number:
MFCD07776897
IUPAC Name:
(1R,2S)-1-amino-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C5H9NO3/c6-5(4(8)9)1-3(5)2-7/h3,7H,1-2,6H2,(H,8,9)/t3-,5-/m1/s1
InChI Key:
ZPCQSJYTXRPREU-NQXXGFSBSA-N
SMILES:
OC[C@H]1C[C@]1(N)C(=O)O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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