DL-Alanine-13C3

CAT: 0024-sc-227935Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-227935Size:500 mg

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CAS Number

144476-54-0

Chemical Information

DL-Alanine-13C3

CAS Number	144476-54-0
PubChem CID	9964068
IUPAC Name	2-amino(1,2,3-13C3)propanoic acid
Molecular Formula	C3H7NO2
Molecular Weight	92.072
XLogP	-3
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	61

SMILES

[13CH3][13CH]([13C](=O)O)N

InChI

InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i1+1,2+1,3+1

InChIKey

QNAYBMKLOCPYGJ-VMIGTVKRSA-N

Chemical Structure

2D Structure

CAS: 144476-54-0

CID: 9964068

Formula: C3H7NO2

MW: 92.072

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	92.072
XLogP3	-3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	92.05774297
Monoisotopic Mass	92.05774297
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.8
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes