MPDC 50mg

CAT: 0628-A20806-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A20806-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

159262-32-5

Chemical Information

(1R,2S,5S,6S)-3-azabicyclo[3.1.0]hexane-2,6-dicarboxylic acid

CAS Number	159262-32-5
PubChem CID	6604785
IUPAC Name	(1R,2S,5S,6S)-3-azabicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Molecular Formula	C7H9NO4
Molecular Weight	171.15
XLogP	-3.3
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	252

SMILES

C1[C@H]2[C@H]([C@H]2C(=O)O)[C@H](N1)C(=O)O

InChI

InChI=1S/C7H9NO4/c9-6(10)4-2-1-8-5(3(2)4)7(11)12/h2-5,8H,1H2,(H,9,10)(H,11,12)/t2-,3+,4-,5-/m0/s1

InChIKey

UNNFLFDQCHJXPI-QTBDOELSSA-N

Chemical Structure

2D Structure

CAS: 159262-32-5

CID: 6604785

Formula: C7H9NO4

MW: 171.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.15
XLogP3	-3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	171.05315777
Monoisotopic Mass	171.05315777
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	252
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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