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1408076-11-8 | Cyclobutaneacetic acid, 3-amino-, trans-
CAS No: 1408076-11-8 Catalog No: AG001CUP MDL No:
Product Description
Catalog Number:
AG001CUP
Chemical Name:
Cyclobutaneacetic acid, 3-amino-, trans-
CAS Number:
1408076-11-8
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
IUPAC Name:
2-(3-aminocyclobutyl)acetic acid;hydrochloride
InChI:
InChI=1S/C6H11NO2.ClH/c7-5-1-4(2-5)3-6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H
InChI Key:
VULUUIGASJOBOK-UHFFFAOYSA-N
SMILES:
N[C@@H]1C[C@H](C1)CC(=O)O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.617g/mol
Monoisotopic Mass:
165.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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