1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;styrene

2.1.2 InChI

InChI=1S/3C10H10.C8H8/c1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8/h3*3-8H,1-2H2;2-7H,1H2

2.1.3 InChI Key

NRJQSNGLTKVTGL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CC1=CC=CC=C1.C=CC1=CC=C(C=C1)C=C.C=CC1=CC(=CC=C1)C=C.C=CC1=CC=CC=C1C=C

2.2 Create Date

2007-07-12

3 Chemical and Physical Properties

Molecular Formula	C₃₈H₃₈
Molecular Weight	494.7 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	7
Exact Mass	494.297351212 g/mol
Monoisotopic Mass	494.297351212 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	386
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	4

Divinylbenzene-Polystyrene Copolymer