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A-Glucosidase-IN-4

CAT: 0127-BUP04123-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04123-01Size:5 mg
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CAS Number
2410538-67-7
Purity
=98%
Smiles
O(C(/C=C/C1=CC=C(C)C=C1)=O)C=2C=3C(OC(=O)C2)=CC=CC3

Chemical Information

alpha-Glucosidase-IN-4
CAS Number2410538-67-7
PubChem CID162663280
IUPAC Name(2-oxochromen-4-yl) (E)-3-(4-methylphenyl)prop-2-enoate
Molecular FormulaC19H14O4
Molecular Weight306.3
XLogP3.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity511
SMILES
CC1=CC=C(C=C1)/C=C/C(=O)OC2=CC(=O)OC3=CC=CC=C32
InChI
InChI=1S/C19H14O4/c1-13-6-8-14(9-7-13)10-11-18(20)23-17-12-19(21)22-16-5-3-2-4-15(16)17/h2-12H,1H3/b11-10+
InChIKey
QNSHUINNWDSBEP-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of alpha-Glucosidase-IN-4
CAS: 2410538-67-7
CID: 162663280
Formula: C19H14O4
MW: 306.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight306.3
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass306.08920892
Monoisotopic Mass306.08920892
Topological Polar Surface Area52.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes