Rac Styrene Oxide-13C2

CAT: 0024-sc-474429Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-474429Size:2.5 mg

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CAS Number

1189532-69-1

Chemical Information

rac Styrene Oxide-13C2

CAS Number	1189532-69-1
PubChem CID	126455956
IUPAC Name	2-phenyl(2,3-13C2)oxirane
Molecular Formula	C8H8O
Molecular Weight	122.13
XLogP	1.6
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

[13CH2]1[13CH](O1)C2=CC=CC=C2

InChI

InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/i6+1,8+1

InChIKey

AWMVMTVKBNGEAK-ANVYNZRWSA-N

Chemical Structure

2D Structure

CAS: 1189532-69-1

CID: 126455956

Formula: C8H8O

MW: 122.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	122.13
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	122.064224545
Monoisotopic Mass	122.064224545
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.7
Isotope Atom Count	2
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes