Carboplatin Impurity 30

CAT: 1299-RM-C021630-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C021630-01Size:10 mg

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CAS Number

2168134-50-5

Synonyms

Trans-1-Amino-3-hydroxycyclobutanecarboxylic acid

Molecular Formula

C5H9NO3

Molecular Weight

131.13

Target Alternative Name

Carboplatin

Chemical Information

1-Amino-3-hydroxycyclobutane-1-carboxylic acid

CAS Number	2168134-50-5
PubChem CID	56592988
IUPAC Name	1-amino-3-hydroxycyclobutane-1-carboxylic acid
Molecular Formula	C5H9NO3
Molecular Weight	131.13
XLogP	-3.7
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	139

SMILES

C1C(CC1(C(=O)O)N)O

InChI

InChI=1S/C5H9NO3/c6-5(4(8)9)1-3(7)2-5/h3,7H,1-2,6H2,(H,8,9)

InChIKey

OEQBVNDAVKXWBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2168134-50-5

CID: 56592988

Formula: C5H9NO3

MW: 131.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.13
XLogP3	-3.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	131.058243149
Monoisotopic Mass	131.058243149
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes