MAO-B-IN-2

CAT: 0607-BA8520-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8520-25Size:25 mg

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

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CAS Number

1253978-24-3

Form

A solid

Molecular Formula

C18H11ClO3

Molecular Weight

310.73

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Mao-B-IN-2

CAS Number	1253978-24-3
PubChem CID	8828981
IUPAC Name	3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]chromen-2-one
Molecular Formula	C18H11ClO3
Molecular Weight	310.7
XLogP	4.5
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	508

SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C18H11ClO3/c19-15-7-3-1-5-12(15)9-10-16(20)14-11-13-6-2-4-8-17(13)22-18(14)21/h1-11H/b10-9+

InChIKey

TVTIXYCYMBPAFW-MDZDMXLPSA-N

Chemical Structure

2D Structure

CAS: 1253978-24-3

CID: 8828981

Formula: C18H11ClO3

MW: 310.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.7
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	310.0396719
Monoisotopic Mass	310.0396719
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	508
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes