DNA polymerase-IN-1

CAT: 0127-BUP01293-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01293-01Size:1 mg

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CAS Number

809234-33-1

Purity

=98%

Smiles

O=C1OC=2C=C(O)C=C(O)C2C(=C1)CCl

Chemical Information

4-(chloromethyl)-5,7-dihydroxy-2H-chromen-2-one

CAS Number	809234-33-1
PubChem CID	11379152
IUPAC Name	4-(chloromethyl)-5,7-dihydroxychromen-2-one
Molecular Formula	C10H7ClO4
Molecular Weight	226.61
XLogP	1.1
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	302

SMILES

C1=C(C=C2C(=C1O)C(=CC(=O)O2)CCl)O

InChI

InChI=1S/C10H7ClO4/c11-4-5-1-9(14)15-8-3-6(12)2-7(13)10(5)8/h1-3,12-13H,4H2

InChIKey

SMMCGQQUJPNVBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 809234-33-1

CID: 11379152

Formula: C10H7ClO4

MW: 226.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.61
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	226.0032864
Monoisotopic Mass	226.0032864
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	302
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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