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84585-79-5 | Cyclobutanecarboxylicacid, 2-(aminocarbonyl)-, trans- (9CI)
CAS No: 84585-79-5 Catalog No: AG004QZU MDL No:
Product Description
Catalog Number:
AG004QZU
Chemical Name:
Cyclobutanecarboxylicacid, 2-(aminocarbonyl)-, trans- (9CI)
CAS Number:
84585-79-5
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
IUPAC Name:
(1R,2R)-2-carbamoylcyclobutane-1-carboxylic acid
InChI:
InChI=1S/C6H9NO3/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)/t3-,4-/m1/s1
InChI Key:
VDJJUSIEPJADBA-QWWZWVQMSA-N
SMILES:
NC(=O)[C@@H]1CC[C@H]1C(=O)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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