Cefprozil related compound D

CAT: 0926-FC63701Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FC63701Size:1 g

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CAS Number

106447-44-3

MDL Number

MFCD09750025

Smiles

C/C=C\C1=C (N2[C@@H] ([C@@H] (C2=O) N) SC1) C (=O) O

Molecular Formula

C10H12N2O3S

Molecular Weight

240.28 g/mol

Controlled

Chemical Information

3-(cis-1-Propenyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

CAS Number	106447-44-3
PubChem CID	11557762
IUPAC Name	(6R,7R)-7-amino-8-oxo-3-[(Z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula	C10H12N2O3S
Molecular Weight	240.28
XLogP	-2.5
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	416

SMILES

C/C=C\C1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C10H12N2O3S/c1-2-3-5-4-16-9-6(11)8(13)12(9)7(5)10(14)15/h2-3,6,9H,4,11H2,1H3,(H,14,15)/b3-2-/t6-,9-/m1/s1

InChIKey

ZYLDQHILNOZKIF-OXLALJFOSA-N

Chemical Structure

2D Structure

CAS: 106447-44-3

CID: 11557762

Formula: C10H12N2O3S

MW: 240.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.28
XLogP3	-2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	240.05686342
Monoisotopic Mass	240.05686342
Topological Polar Surface Area	109 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	416
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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