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Methylenomycin B

CAT: 0931-TN10413-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10413-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52775-77-6
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Methylenomycin B is a cyclopentanone-derived antibiotic effective against both Gram-negative and Gram-positive bacteria.
Smiles
O=C1C(=C(C)CC1=C)C
Molecular Formula
C8H10O
Molecular Weight
122.164
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methylenomycin B
CAS Number52775-77-6
PubChem CID3040648
IUPAC Name2,3-dimethyl-5-methylidenecyclopent-2-en-1-one
Molecular FormulaC8H10O
Molecular Weight122.16
XLogP1.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity209
SMILES
CC1=C(C(=O)C(=C)C1)C
InChI
InChI=1S/C8H10O/c1-5-4-6(2)8(9)7(5)3/h2,4H2,1,3H3
InChIKey
YDXIEAHUYZKJOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylenomycin B
CAS: 52775-77-6
CID: 3040648
Formula: C8H10O
MW: 122.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.16
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass122.073164938
Monoisotopic Mass122.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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